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264880-77-5 | 4(3H)-Pyrimidinone, 6-amino-2-(2-pyridinyl)-
CAS No: 264880-77-5 Catalog No: AG002TES MDL No:
Product Description
Catalog Number:
AG002TES
Chemical Name:
4(3H)-Pyrimidinone, 6-amino-2-(2-pyridinyl)-
CAS Number:
264880-77-5
Molecular Formula:
C9H8N4O
Molecular Weight:
188.1860
IUPAC Name:
4-amino-2-pyridin-2-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H8N4O/c10-7-5-8(14)13-9(12-7)6-3-1-2-4-11-6/h1-5H,(H3,10,12,13,14)
InChI Key:
GLIITTLXUIDKLK-UHFFFAOYSA-N
SMILES:
Nc1cc(=O)[nH]c(n1)c1ccccn1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.19g/mol
Monoisotopic Mass:
188.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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