Home Amines 1004-76-8
1004-76-8,MFCD00040963
Catalog No.:AA0001TV
1004-76-8 | 2-Mercapto-4-hydroxy-5,6-diaminopyrimidine
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10g
1 week  
$188.00   $132.00
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25g
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$282.00   $197.00
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50g
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$407.00   $285.00
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100g
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250g
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001TV
Chemical Name:
2-Mercapto-4-hydroxy-5,6-diaminopyrimidine
CAS Number:
1004-76-8
Molecular Formula:
C4H6N4OS
Molecular Weight:
158.1816
MDL Number:
MFCD00040963
IUPAC Name:
5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C4H6N4OS/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
InChI Key:
QYSWOQHLIDKEOL-UHFFFAOYSA-N
SMILES:
Nc1[nH]c(=S)[nH]c(=O)c1N
EC Number:
213-727-5
NSC Number:
45759
Properties
Computed Properties
 
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.026g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
158.179g/mol
Monoisotopic Mass:
158.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  

Synonyms
 
4,5-diamino-2-thiouracil 
1004-76-8 
5,6-diamino-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 
2-Mercapto-4-hydroxy-5,6-diamino-pyrimidine 
5,6-diamino-2-mercaptopyrimidin-4-ol 
QYSWOQHLIDKEOL-UHFFFAOYSA-N 
5,6-diamino-2-sulfanylpyrimidin-4-ol 
4,5-diamino-6-hydroxy-2-mercapto pyrimidine 
4(1H)-Pyrimidinone,5,6-diamino-2,3-dihydro-2-thioxo- 
5,6-diamino-2-thioxo-1,3-dihydropyrimidin-4-one 
Diamino-thio-uracil 
EINECS 213-727-5 
5,6-Diamino-4-hydroxy-2-mercaptopyrimidine 
NSC 45759 
zlchem 191 
PubChem9484 
5,6-diamino-2-mercapto-pyrimidin-4-ol 
AI3-52253 
Uracil,6-diamino-2-thio- 
SCHEMBL739774 
PYR085 
Jsp000122 
CHEMBL2151968 
2-Mercapto-4-hydroxy-5,6-diaminopyrimidine 
Uracil, 5,6-diamino-2-thio- 
CTK3J8974 
CTK7E0954 
KS-00001DOS 
DTXSID00143249 
ZLB0182 
ACT05872 
ALBB-023843 
CS-B0339 
NSC45759 
4,5-Diamino-2-thiouracil 
ANW-57905 
CD-435 
MFCD00040963 
NSC-45759 
SBB065675 
ZINC12958929 
AKOS003390423 
AKOS005067816 
AKOS022635772 
AKOS023552965 
4,5-Diamino-6-hydroxy-2-mercaptopyrimidine 
4,5-Diamino-2-mercaptopyrimidin-6-ol 
GS-6423 
LS40537 
MCULE-2878751510 
RL00043 
TRA0001928 
NCGC00188178-01 
NCGC00188178-02 
NCGC00188178-03 
NCGC00188178-04 
5,6-Diamino-2-thiouracil 
AC-26668 
AJ-63336 
AK-28415 
AN-48269 
BP-12431 
HC210067 
L602 
SC-54371 
5,6-diamino-2-thioxo-1H-pyrimidin-4-one 
AB0014790 
4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo- 
AB0109220 
DB-017446 
TC-146650 
TL8000054 
4CH-001458 
5,6-diamino-2-sulfanylpyrimidin-4(3H)-one 
FT-0617144 
R1233 
ST24044069 
ST45026966 
4,5-Diamino-6-hydroxy-2-thiopyrimidine 
4,5-Diamino-6-hydroxy-2-mercapto-pyrimidine 
Uracil, 5,6-diamino-2-thio- (VAN) (8CI) 
5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one 
4,5-Diamino-6-hydroxy-2-mercaptopyrimidine, 85% 
4-5-diamino-6-hydroxy-2-*mercaptopyrimidine free 
A800215 
I03-0010 
W-108958 
4(1H)-Pyrimidinone,6-diamino-2,3-dihydro-2-thioxo- 
5,6-bis(azanyl)-2-sulfanylidene-1H-pyrimidin-4-one 
4,5-Diamino-2-mercaptopyrimidine-6-ol 
5,6-diamino-2-sulfanylidene-1,3-dihydropyrimidin-4-one 
5,6-Diamino-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one 
5,6-Diamino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone # 
Cyclohexylphosphonic acid 
C4H6N4OS 
C4-H6-N4-O-S 
ACN-027109 
CID1201437 
Literature

Title: Optical mesosensors for monitoring and removal of ultra-trace concentration of Zn(II) and Cu(II) ions from water.

Journal: The Analyst 20121121

Title: Compound instability in dimethyl sulphoxide, case studies with 5-aminopyrimidines and the implications for compound storage and screening.

Journal: Bioorganic & medicinal chemistry letters 20121015

Title: Preliminary finding on a new calcium channel entry blocker chemotype: 5,6-diamino-4-hydroxy-2-mercaptopyrimidine derivatives.

Journal: Journal of medicinal chemistry 20110811

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