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1137475-35-4 | 2-Pyrazinecarbonitrile, 5-[[6-[(4-pyridinylmethyl)amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-35-4 Catalog No: AG0009K6 MDL No:
Product Description
Catalog Number:
AG0009K6
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[(4-pyridinylmethyl)amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-35-4
Molecular Formula:
C15H12N8
Molecular Weight:
304.3094
IUPAC Name:
5-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C15H12N8/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/h1-5,8-10H,7H2,(H2,19,20,21,22,23)
InChI Key:
HMKAGNBGDDKGCP-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:
304.118g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.317g/mol
Monoisotopic Mass:
304.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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