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73978-74-2 | 4-Pyrimidinamine, 2, 6-dimethoxy-5-nitro-
CAS No: 73978-74-2 Catalog No: AG005IQE MDL No:
Product Description
Catalog Number:
AG005IQE
Chemical Name:
4-Pyrimidinamine, 2, 6-dimethoxy-5-nitro-
CAS Number:
73978-74-2
Molecular Formula:
C6H8N4O4
Molecular Weight:
200.1521
IUPAC Name:
2,6-dimethoxy-5-nitropyrimidin-4-amine
InChI:
InChI=1S/C6H8N4O4/c1-13-5-3(10(11)12)4(7)8-6(9-5)14-2/h1-2H3,(H2,7,8,9)
InChI Key:
AEFIKWJHKJRACJ-UHFFFAOYSA-N
SMILES:
COc1nc(OC)nc(c1[N+](=O)[O-])N
NSC Number:
45770
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.154g/mol
Monoisotopic Mass:
200.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Hydrogen bonding in nitroaniline analogues: hydrogen-bonded sheets in 2-amino-4,6-dimethoxy-5-nitropyrimidine and pi-stacked hydrogen-bonded sheets in 4-amino-2,6-dimethoxy-5-nitropyrimidine. | Acta crystallographica. Section C, Crystal structure communications 20030101 |
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