chempirical

2-Chloro-4,5-pyrimidinediamine

C4H5ClN4CAS 14631-08-4144.56 g/mol

Open in Covalent MOL file
NHNHClNH2N
Aryl halidePrimary amine

Properties

Molecular formula
C4H5ClN4
Molar mass
144.56 g/mol
Exact mass
144.0203 Da
Melting point
220 °C (decomposes)
logP
0.12Crippen estimate
Polar surface area
78.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
14631-08-4
SMILES
N=c1[nH]c(Cl)ncc1N
InChIKey
QDUJVEOOSNUDDW-UHFFFAOYSA-N
InChI
InChI=1S/C4H5ClN4/c5-4-8-1-2(6)3(7)9-4/h1H,6H2,(H2,7,8,9)

Weigh it out

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

Names and synonyms

6 names
  • 4,5-Pyrimidinediamine, 2-chloro-
  • Pyrimidine, 4,5-diamino-2-chloro-
  • 2-Chloro-4,5-diaminopyrimidine
  • 4,5-Diamino-2-chloropyrimidine
  • NSC 45754
  • 2-Chloropyrimidine-4,5-diamine

Work with 2-Chloro-4,5-pyrimidinediamine

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-5-fluoro-4-pyrimidinamine155-10-256 % similar 2-Chloro-5-methoxy-4-pyrimidinamine99979-77-856 % similar 2-Chloro-5-nitro-4-pyrimidinamine1920-66-747 % similar 4,5-Diaminopyrimidine13754-19-342 % similar 4-Amino-2-chloro-6,7-dimethoxyquinazoline23680-84-436 % similar 2-Chloro-4-nitroimidazole57531-37-034 % similar 6-Chloro-4-methyl-3-pyridinamine66909-38-432 % similar 2-Chloro-5-pyrimidinamine56621-90-032 % similar

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

Same formula

2,4-Diamino-6-chloropyrimidine156-83-2 3-Chloro-6-hydrazinopyridazine17284-97-8 6-Chloro-4,5-pyrimidinediamine4316-98-7

Elsewhere

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