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1137475-37-6 | 2-Pyrazinecarbonitrile, 5-[[6-[[1-(4-piperidinyl)ethyl]amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-37-6 Catalog No: AG0009K4 MDL No:
Product Description
Catalog Number:
AG0009K4
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[[1-(4-piperidinyl)ethyl]amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-37-6
Molecular Formula:
C16H20N8
Molecular Weight:
324.3836
IUPAC Name:
5-[[6-(1-piperidin-4-ylethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C16H20N8/c1-11(12-2-4-18-5-3-12)23-14-6-15(22-10-21-14)24-16-9-19-13(7-17)8-20-16/h6,8-12,18H,2-5H2,1H3,(H2,20,21,22,23,24)
InChI Key:
NALAVFLBVSTCOK-UHFFFAOYSA-N
SMILES:
CC(C1CCNCC1)Nc1ncnc(c1)Nc1ncc(nc1)C#N
Properties
Complexity:
429
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:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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