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1137475-34-3 | 2-Pyrazinecarbonitrile, 5-[[6-[[2-(4-piperidinyl)ethyl]amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-34-3 Catalog No: AG0009K7 MDL No:
Product Description
Catalog Number:
AG0009K7
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[[2-(4-piperidinyl)ethyl]amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-34-3
Molecular Formula:
C16H20N8
Molecular Weight:
324.3836
IUPAC Name:
5-[[6-(2-piperidin-4-ylethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C16H20N8/c17-8-13-9-21-16(10-20-13)24-15-7-14(22-11-23-15)19-6-3-12-1-4-18-5-2-12/h7,9-12,18H,1-6H2,(H2,19,21,22,23,24)
InChI Key:
PTJNNJJPJUHEGF-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncnc(c1)NCCC1CCNCC1
Properties
Complexity:
416
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:
3
Isotope Atom Count:
0
Molecular Weight:
324.392g/mol
Monoisotopic Mass:
324.181g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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