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77961-57-0 | 4(1H)-Pyrimidinone, 5-amino-2-[(4-pyrimidinylmethyl)amino]-
CAS No: 77961-57-0 Catalog No: AG005E9G MDL No:
Product Description
Catalog Number:
AG005E9G
Chemical Name:
4(1H)-Pyrimidinone, 5-amino-2-[(4-pyrimidinylmethyl)amino]-
CAS Number:
77961-57-0
Molecular Formula:
C9H10N6O
Molecular Weight:
218.2153
IUPAC Name:
5-amino-2-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H10N6O/c10-7-4-13-9(15-8(7)16)12-3-6-1-2-11-5-14-6/h1-2,4-5H,3,10H2,(H2,12,13,15,16)
InChI Key:
HGGKIZOZLCPRJL-UHFFFAOYSA-N
SMILES:
O=c1nc(NCc2ccncn2)[nH]cc1N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.22g/mol
Monoisotopic Mass:
218.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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