chempirical

2-Chloro-5-nitro-4-pyrimidinamine

C4H3ClN4O2CAS 1920-66-7174.54 g/mol

Open in Covalent MOL file
NHNHClNN+OO−
Aryl halideNitro

Properties

Molecular formula
C4H3ClN4O2
Molar mass
174.54 g/mol
Exact mass
173.9945 Da
Melting point
220–221 °C
logP
0.45Crippen estimate
Polar surface area
95.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
1920-66-7
SMILES
N=c1[nH]c(Cl)ncc1[N+](=O)[O-]
InChIKey
RZGOEIWDMVQJBQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3ClN4O2/c5-4-7-1-2(9(10)11)3(6)8-4/h1H,(H2,6,7,8)

Weigh it out

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

Names and synonyms

7 names
  • 4-Pyrimidinamine, 2-chloro-5-nitro-
  • Pyrimidine, 4-amino-2-chloro-5-nitro-
  • 4-Amino-2-chloro-5-nitropyrimidine
  • 2-Chloro-4-amino-5-nitropyrimidine
  • NSC 40838
  • 2-Chloro-5-nitropyrimidin-4-amine
  • 2-Chloro-5-nitro-pyrimidin-4-ylamine

Work with 2-Chloro-5-nitro-4-pyrimidinamine

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-Chloro-4-nitroimidazole57531-37-058 % similar 2-Chloro-4,5-pyrimidinediamine14631-08-447 % similar 2-Chloro-5-fluoro-4-pyrimidinamine155-10-247 % similar 2-Chloro-5-methoxy-4-pyrimidinamine99979-77-844 % similar 2-Chloro-5-nitropyrimidine10320-42-043 % similar 2-Chloro-4-methyl-5-nitropyridine23056-33-942 % similar 2,5-Dichloro-3-nitropyridine21427-62-340 % similar 2-Chloro-3,5-dinitropyridine2578-45-240 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook