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1105198-36-4,MFCD16631650
Catalog No.:AA01AQJ9
1105198-36-4 | 2-Hydrazino-6-isopropylpyrimidin-4(3H)-one
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Technical Information
Catalog Number:
AA01AQJ9
Chemical Name:
2-Hydrazino-6-isopropylpyrimidin-4(3H)-one
CAS Number:
1105198-36-4
Molecular Formula:
C7H12N4O
Molecular Weight:
168.1964
MDL Number:
MFCD16631650
IUPAC Name:
2-hydrazinyl-4-propan-2-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C7H12N4O/c1-4(2)5-3-6(12)10-7(9-5)11-8/h3-4H,8H2,1-2H3,(H2,9,10,11,12)
InChI Key:
SCZOHWHNPCHKJQ-UHFFFAOYSA-N
SMILES:
NNc1nc(cc(=O)[nH]1)C(C)C
Properties
Computed Properties
 
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.101g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
168.2g/mol
Monoisotopic Mass:
168.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

Synonyms
 
2-hydrazino-6-isopropylpyrimidin-4(3H)-one 
1105198-36-4 
L-3886 
F2135-0876 
2-hydrazinyl-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one 
2-hydrazinyl-6-propan-2-yl-1H-pyrimidin-4-one 
2-hydrazinyl-6-(propan-2-yl)pyrimidin-4(3H)-one 
BBL006463 
MFCD16631650 
STL125463 
ZINC26421809 
AKOS005208555 
MCULE-5774186427 
2-hydrazinyl-6-isopropyl-3H-pyrimidin-4-one 
Literature
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