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77961-49-0 | 4(1H)-Pyrimidinone, 5-amino-2-[(1H-pyrrol-2-ylmethyl)amino]-
CAS No: 77961-49-0 Catalog No: AG005E9H MDL No:
Product Description
Catalog Number:
AG005E9H
Chemical Name:
4(1H)-Pyrimidinone, 5-amino-2-[(1H-pyrrol-2-ylmethyl)amino]-
CAS Number:
77961-49-0
Molecular Formula:
C9H11N5O
Molecular Weight:
205.2165
IUPAC Name:
5-amino-2-(1H-pyrrol-2-ylmethylamino)-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H11N5O/c10-7-5-13-9(14-8(7)15)12-4-6-2-1-3-11-6/h1-3,5,11H,4,10H2,(H2,12,13,14,15)
InChI Key:
OUKWACHAEOJOEF-UHFFFAOYSA-N
SMILES:
O=c1nc(NCc2ccc[nH]2)[nH]cc1N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
205.221g/mol
Monoisotopic Mass:
205.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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