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1137475-06-9 | 2-Pyrazinecarbonitrile, 5-[[6-[(4-piperidinylmethyl)amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-06-9 Catalog No: AG0009J5 MDL No:
Product Description
Catalog Number:
AG0009J5
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[(4-piperidinylmethyl)amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-06-9
Molecular Formula:
C15H18N8
Molecular Weight:
310.3570
IUPAC Name:
5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C15H18N8/c16-6-12-8-20-15(9-18-12)23-14-5-13(21-10-22-14)19-7-11-1-3-17-4-2-11/h5,8-11,17H,1-4,7H2,(H2,19,20,21,22,23)
InChI Key:
LNWARQATROLGJR-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(nc1)Nc1ncnc(c1)NCC1CCNCC1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.165g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.365g/mol
Monoisotopic Mass:
310.165g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. | Journal of medicinal chemistry 20111222 |
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