Home Amines 1026582-88-6
1026582-88-6,MFCD12828747
Catalog No.:AA0007Z8
1026582-88-6 | 2,4-Pyrimidinediamine, 5-[[4,5-dimethoxy-2-(1-methylethyl)phenyl]methyl]-
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5mg
98%
in stock  
$154.00   $108.00
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10mg
98%
in stock  
$241.00   $169.00
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25mg
98%
in stock  
$488.00   $342.00
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50mg
98%
in stock  
$820.00   $574.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0007Z8
Chemical Name:
2,4-Pyrimidinediamine, 5-[[4,5-dimethoxy-2-(1-methylethyl)phenyl]methyl]-
CAS Number:
1026582-88-6
Molecular Formula:
C16H22N4O2
Molecular Weight:
302.3715
MDL Number:
MFCD12828747
IUPAC Name:
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C16H22N4O2/c1-9(2)12-7-14(22-4)13(21-3)6-10(12)5-11-8-19-16(18)20-15(11)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
InChI Key:
PYNPWUIBJMVRIG-UHFFFAOYSA-N
SMILES:
COc1cc(Cc2cnc(nc2N)N)c(cc1OC)C(C)C
Properties
Computed Properties
 
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.174g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
302.378g/mol
Monoisotopic Mass:
302.174g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
RO-3 
1026582-88-6 
BDBM50413391 
ZINC13984253 
2,4-Pyrimidinediamine, 5-[[4,5-dimethoxy-2-(1-methylethyl)phenyl]methyl]- 
AKOS024457403 
NCGC00378772-01 
B7256 
R-190 
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine. 
5-{[4,5-dimethoxy-2-(propan-2-yl)phenyl]methyl}pyrimidine-2,4-diamine 
D0G8NI 
CHEMBL494772 
PYNPWUIBJMVRIG-UHFFFAOYSA-N 
CID11289644 
5-[(4,5-dimethoxy-2-propan-2-yl-phenyl)methyl]pyrimidine-2,4-diamine 
RO3 
5-[[4,5-Dimethoxy-2-(methylethyl)phenyl]methyl]-2,4-pyrimidinediamine 
GTPL4298 
RO 3 
SCHEMBL1494010 
CTK8G2981 
BCP18267 
Literature

Title: Identification and SAR of novel diaminopyrimidines. Part 1: The discovery of RO-4, a dual P2X(3)/P2X(2/3) antagonist for the treatment of pain.

Journal: Bioorganic & medicinal chemistry letters 20090315

Title: Purinoceptors as therapeutic targets for lower urinary tract dysfunction.

Journal: British journal of pharmacology 20060201

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