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1137475-54-7 | 2-Pyrazinecarbonitrile, 5-[[6-[4-(hydroxymethyl)-1-piperidinyl]-4-pyrimidinyl]amino]-
CAS No: 1137475-54-7 Catalog No: AG0009JW MDL No:
Product Description
Catalog Number:
AG0009JW
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[4-(hydroxymethyl)-1-piperidinyl]-4-pyrimidinyl]amino]-
CAS Number:
1137475-54-7
Molecular Formula:
C15H17N7O
Molecular Weight:
311.3418
IUPAC Name:
5-[[6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C15H17N7O/c16-6-12-7-18-14(8-17-12)21-13-5-15(20-10-19-13)22-3-1-11(9-23)2-4-22/h5,7-8,10-11,23H,1-4,9H2,(H,18,19,20,21)
InChI Key:
VMXDWRLFZSKIFU-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)c1ncnc(c1)Nc1ncc(nc1)C#N
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.149g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.349g/mol
Monoisotopic Mass:
311.149g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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