2-Amino-6-chloro-5-nitro-3,4-dihydropyrimidin-4-one

C₄H₃ClN₄O₃CAS 1007-99-4190.54 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₄H₃ClN₄O₃
Molar mass: 190.54 g/mol
Exact mass: 189.9894 Da
logP: -0.09Crippen estimate
Polar surface area: 114.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Identifiers

CAS number

1007-99-4

SMILES

C1(=C(N=C(NC1=O)N)Cl)[N+](=O)[O-]

InChIKey

UTTPUMOOQSNOHH-UHFFFAOYSA-N

InChI

InChI=1S/C4H3ClN4O3/c5-2-1(9(11)12)3(10)8-4(6)7-2/h(H3,6,7,8,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Amino-4-chloro-6-hydroxy-5-nitropyrimidine

Work with 2-Amino-6-chloro-5-nitro-3,4-dihydropyrimidin-4-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dichloro-6-methyl-5-nitropyrimidine13162-26-042 % similar 4,6-Dichloro-5-nitropyrimidine4316-93-241 % similar 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine145783-14-838 % similar Pentachloronitrobenzene82-68-835 % similar 2,6-Dichloro-3-nitropyridine16013-85-734 % similar 3-Chloro-2-nitrobenzenamine59483-54-434 % similar Dnqx2379-57-933 % similar 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook