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304646-29-5 | 4-Pyrimidinamine, 2-methoxy-5-nitro-
CAS No: 304646-29-5 Catalog No: AG00306H MDL No:MFCD00193906
Product Description
Catalog Number:
AG00306H
Chemical Name:
4-Pyrimidinamine, 2-methoxy-5-nitro-
CAS Number:
304646-29-5
Molecular Formula:
C5H6N4O3
Molecular Weight:
170.1261
MDL Number:
MFCD00193906
IUPAC Name:
2-methoxy-5-nitropyrimidin-4-amine
InChI:
InChI=1S/C5H6N4O3/c1-12-5-7-2-3(9(10)11)4(6)8-5/h2H,1H3,(H2,6,7,8)
InChI Key:
NTYPCKIDOSPATQ-UHFFFAOYSA-N
SMILES:
COc1ncc(c(n1)N)[N+](=O)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.128g/mol
Monoisotopic Mass:
170.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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