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1137475-32-1 | 2-Pyrazinecarbonitrile, 5-[[6-[[(4-methyl-4-piperidinyl)methyl]amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-32-1 Catalog No: AG0009IU MDL No:
Product Description
Catalog Number:
AG0009IU
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[[(4-methyl-4-piperidinyl)methyl]amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-32-1
Molecular Formula:
C16H20N8
Molecular Weight:
324.3836
IUPAC Name:
5-[[6-[methyl-(4-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C16H20N8/c1-16(3-5-18-6-4-16)24(2)15-7-13(21-11-22-15)23-14-10-19-12(8-17)9-20-14/h7,9-11,18H,3-6H2,1-2H3,(H,20,21,22,23)
InChI Key:
JCFITGQUQXNNLL-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(nc1)Nc1ncnc(c1)NCC1(C)CCNCC1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.181g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.392g/mol
Monoisotopic Mass:
324.181g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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