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1137475-24-1 | 2-Pyrazinecarbonitrile, 5-[[6-[(3-aminopropyl)amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-24-1 Catalog No: AG0009IW MDL No:
Product Description
Catalog Number:
AG0009IW
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[(3-aminopropyl)amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-24-1
Molecular Formula:
C12H14N8
Molecular Weight:
270.2932
IUPAC Name:
5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C12H14N8/c13-2-1-3-15-10-4-11(19-8-18-10)20-12-7-16-9(5-14)6-17-12/h4,6-8H,1-3,13H2,(H2,15,17,18,19,20)
InChI Key:
SKITZWDMFBMCLT-UHFFFAOYSA-N
SMILES:
NCCCNc1ncnc(c1)Nc1cnc(cn1)C#N
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.134g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.3g/mol
Monoisotopic Mass:
270.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. | Journal of medicinal chemistry 20111222 |
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