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1137475-07-0 | 2-Pyrazinecarbonitrile, 5-[[6-(4-amino-1-piperidinyl)-4-pyrimidinyl]amino]-
CAS No: 1137475-07-0 Catalog No: AG0009J4 MDL No:
Product Description
Catalog Number:
AG0009J4
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-(4-amino-1-piperidinyl)-4-pyrimidinyl]amino]-
CAS Number:
1137475-07-0
Molecular Formula:
C14H16N8
Molecular Weight:
296.3304
IUPAC Name:
5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C14H16N8/c15-6-11-7-18-13(8-17-11)21-12-5-14(20-9-19-12)22-3-1-10(16)2-4-22/h5,7-10H,1-4,16H2,(H,18,19,20,21)
InChI Key:
AMVUHIZMUIPHNN-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncnc(c1)N1CCC(CC1)N
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.15g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.338g/mol
Monoisotopic Mass:
296.15g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. | Journal of medicinal chemistry 20111222 |
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