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1137475-38-7 | 2-Pyrazinecarbonitrile, 5-[[6-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-38-7 Catalog No: AG0009K3 MDL No:
Product Description
Catalog Number:
AG0009K3
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-38-7
Molecular Formula:
C15H17N7O
Molecular Weight:
311.3418
IUPAC Name:
5-[[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C15H17N7O/c1-22(12-2-4-23-5-3-12)15-6-13(19-10-20-15)21-14-9-17-11(7-16)8-18-14/h6,8-10,12H,2-5H2,1H3,(H,18,19,20,21)
InChI Key:
GJWWTQQTIHSTIW-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(nc1)Nc1ncnc(c1)NCC1CCOCC1
Properties
Complexity:
419
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:
1
Isotope Atom Count:
0
Molecular Weight:
311.349g/mol
Monoisotopic Mass:
311.149g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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