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

Hazards

Warning

H315 Causes skin irritation96.3% of notifiers
H319 Causes serious eye irritation96.3% of notifiers
H335 May cause respiratory irritation94.4% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde14160-91-946 % similar 4-Chloro-2-methylthieno[2,3-d]pyrimidine56843-79-945 % similar 5-Amino-4,6-dichloropyrimidine5413-85-444 % similar 4,6-Dichloro-2-(propylthio)pyrimidin-5-amine145783-15-944 % similar 4-Chloro-2-methylquinazoline6484-24-843 % similar 4,6-Dichloro-2,5-pyrimidinediamine55583-59-042 % similar 6-Chloro-2-methylpyrimidin-4-amine1749-68-440 % similar 4-Amino-5-chloro-2,6-dimethylpyrimidine2858-20-040 % 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

PubChem CAS Common Chemistry NIST WebBook