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Home Other Building Blocks 2,4-Pyrimidinediamine, 5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]-

2,4-Pyrimidinediamine, 5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]-

CAS No.:
865305-30-2
Catalog Number:
AG0036CF
Molecular Formula:
C14H17IN4O2
Molecular Weight:
400.2149
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
98%
1 week
United States
$179
- +
10mg
98%
1 week
United States
$272
- +
25mg
98%
1 week
United States
$487
- +
50mg
98%
1 week
United States
$661
- +
Product Description
Catalog Number:
AG0036CF
Chemical Name:
2,4-Pyrimidinediamine, 5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]-
CAS Number:
865305-30-2
Molecular Formula:
C14H17IN4O2
Molecular Weight:
400.2149
MDL Number:
MFCD18782750
IUPAC Name:
5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
InChI:
InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
InChI Key:
AATPYXMXFBBKFO-UHFFFAOYSA-N
SMILES:
COc1cc(C(C)C)c(cc1I)Oc1cnc(nc1N)N
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.04g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
400.22g/mol
Monoisotopic Mass:
400.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
AF-353, a novel, potent and orally bioavailable P2X3/P2X2/3 receptor antagonist. British journal of pharmacology 20100701
Identification and SAR of novel diaminopyrimidines. Part 2: The discovery of RO-51, a potent and selective, dual P2X(3)/P2X(2/3) antagonist for the treatment of pain. Bioorganic & medicinal chemistry letters 20090315
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. Bioorganic & medicinal chemistry letters 20090315
Properties