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77961-34-3 | 4(1H)-Pyrimidinone, 5-amino-2-(3-pyridinylamino)-
CAS No: 77961-34-3 Catalog No: AG0055JT MDL No:
Product Description
Catalog Number:
AG0055JT
Chemical Name:
4(1H)-Pyrimidinone, 5-amino-2-(3-pyridinylamino)-
CAS Number:
77961-34-3
Molecular Formula:
C9H9N5O
Molecular Weight:
203.2007
IUPAC Name:
5-amino-2-(pyridin-3-ylamino)-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H9N5O/c10-7-5-12-9(14-8(7)15)13-6-2-1-3-11-4-6/h1-5H,10H2,(H2,12,13,14,15)
InChI Key:
UAKUUAOJHITUKE-UHFFFAOYSA-N
SMILES:
O=c1nc([nH]cc1N)Nc1cccnc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
203.205g/mol
Monoisotopic Mass:
203.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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