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1137475-51-4 | 2-Pyrazinecarbonitrile, 5-[[6-[(3-hydroxypropyl)amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-51-4 Catalog No: AG0009JZ MDL No:
Product Description
Catalog Number:
AG0009JZ
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[(3-hydroxypropyl)amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-51-4
Molecular Formula:
C12H13N7O
Molecular Weight:
271.2779
IUPAC Name:
5-[[6-(3-hydroxypropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C12H13N7O/c13-5-9-6-16-12(7-15-9)19-11-4-10(17-8-18-11)14-2-1-3-20/h4,6-8,20H,1-3H2,(H2,14,16,17,18,19)
InChI Key:
ZUGDWJGRIAYNMN-UHFFFAOYSA-N
SMILES:
OCCCNc1ncnc(c1)Nc1cnc(cn1)C#N
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.118g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.284g/mol
Monoisotopic Mass:
271.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. | Journal of medicinal chemistry 20111222 |
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