4,6-Dichloro-2-methyl-5-pyrimidinamine

C₅H₅Cl₂N₃CAS 39906-04-2178.02 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₅Cl₂N₃
Molar mass: 178.02 g/mol
Exact mass: 176.9861 Da
Melting point: 70–72 °C
logP: 1.67Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

39906-04-2

SMILES

Cc1nc(Cl)c(N)c(Cl)n1

InChIKey

FKRXXAMAHOGYNT-UHFFFAOYSA-N

InChI

InChI=1S/C5H5Cl2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H3

Weigh it out

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

Names and synonyms

6 names

5-Pyrimidinamine, 4,6-dichloro-2-methyl-
Pyrimidine, 5-amino-4,6-dichloro-2-methyl-
5-Amino-4,6-dichloro-2-methylpyrimidine
4,6-Dichloro-2-methylpyrimidin-5-amine
2-Methyl-4,6-dichloro-5-aminopyrimidine
4,6-Dichloro-2-methylpyrimidin-5-ylamine

Work with 4,6-Dichloro-2-methyl-5-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

5-Amino-4,6-dichloropyrimidine5413-85-444 % similar 4,6-Dichloro-2-(propylthio)pyrimidin-5-amine145783-15-944 % similar 4,6-Dichloro-2,5-pyrimidinediamine55583-59-042 % similar 3-Amino-2-chloro-4-methylpyridine133627-45-939 % similar 4,6-Dichloro-2-methylpyrimidine1780-26-338 % similar 2,6-Dichloro-4-(trifluoromethyl)-3-pyridinamine175277-67-534 % similar 4-Chloro-2,6-dimethylpyrimidine4472-45-133 % similar 2,6-Dichloro-3-methylaniline64063-37-231 % similar

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

Same formula

2,6-Dichloro-3,4-pyridinediamine101079-63-4 2,4-Dichloro-5-amino-6-methylpyrimidine13162-27-1

Elsewhere

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