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77961-36-5 | 4(1H)-Pyrimidinone, 5-amino-2-[(2-pyridinylmethyl)amino]-
CAS No: 77961-36-5 Catalog No: AG0055JR MDL No:
Product Description
Catalog Number:
AG0055JR
Chemical Name:
4(1H)-Pyrimidinone, 5-amino-2-[(2-pyridinylmethyl)amino]-
CAS Number:
77961-36-5
Molecular Formula:
C10H11N5O
Molecular Weight:
217.2272
IUPAC Name:
5-amino-2-(pyridin-2-ylmethylamino)-1H-pyrimidin-6-one
InChI:
InChI=1S/C10H11N5O/c11-8-6-14-10(15-9(8)16)13-5-7-3-1-2-4-12-7/h1-4,6H,5,11H2,(H2,13,14,15,16)
InChI Key:
POCGYGJIQOIVKQ-UHFFFAOYSA-N
SMILES:
O=c1nc(NCc2ccccn2)[nH]cc1N
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
217.232g/mol
Monoisotopic Mass:
217.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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