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77961-32-1 | 4(1H)-Pyrimidinone, 2-[[(2-methyl-5-pyrimidinyl)methyl]amino]-5-nitro-
CAS No: 77961-32-1 Catalog No: AG005E9K MDL No:
Product Description
Catalog Number:
AG005E9K
Chemical Name:
4(1H)-Pyrimidinone, 2-[[(2-methyl-5-pyrimidinyl)methyl]amino]-5-nitro-
CAS Number:
77961-32-1
Molecular Formula:
C10H10N6O3
Molecular Weight:
262.2248
IUPAC Name:
2-[(2-methylpyrimidin-5-yl)methylamino]-5-nitro-1H-pyrimidin-6-one
InChI:
InChI=1S/C10H10N6O3/c1-6-11-2-7(3-12-6)4-13-10-14-5-8(16(18)19)9(17)15-10/h2-3,5H,4H2,1H3,(H2,13,14,15,17)
InChI Key:
ZKCGUSBZBJQXQW-UHFFFAOYSA-N
SMILES:
Cc1ncc(cn1)CNc1[nH]cc(c(=O)n1)[N+](=O)[O-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.229g/mol
Monoisotopic Mass:
262.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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