4,6-Dichloro-2-pyrimidinamine

C₄H₃Cl₂N₃CAS 56-05-3163.99 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₃Cl₂N₃
Molar mass: 163.99 g/mol
Exact mass: 162.9704 Da
Melting point: 221 °C
logP: 1.20Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.1% of notifiers

Aggregated from 52 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

56-05-3

SMILES

N=c1nc(Cl)cc(Cl)[nH]1

InChIKey

JPZOAVGMSDSWSW-UHFFFAOYSA-N

InChI

InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)

Weigh it out

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

Names and synonyms

8 names

2-Pyrimidinamine, 4,6-dichloro-
Pyrimidine, 2-amino-4,6-dichloro-
2-Amino-4,6-dichloropyrimidine
Py 11
4,6-Dichloro-2-aminopyrimidine
NSC 18698
(4,6-Dichloropyrimidin-2-yl)amine
2-Amino-4,6-dichloro-2-pyrimidine

Work with 4,6-Dichloro-2-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-Amino-6-chloro-4(1H)-pyrimidinone1194-21-462 % similar 2-Amino-4-chloro-6-methylpyrimidine5600-21-560 % similar 4-Chloro-6-methoxy-2-pyrimidinamine5734-64-555 % similar 4-Chloro-6-(1-methylethyl)-2-pyrimidinamine73576-33-755 % similar 4,6-Dichloro-1,3,5-trazin-2-amine933-20-042 % similar 6-Chloro-2-(methylthio)pyrimidin-4-amine1005-38-539 % similar 2,4-Diamino-6-chloropyrimidine156-83-239 % similar 4,6-Dichloro-2-methylpyrimidine1780-26-338 % similar

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

Same formula

2,6-Dichloro-4-pyrimidinamine10132-07-7 5,6-Dichloropyrimidin-4-amine310400-38-5 4,5-Dichloropyrimidin-2-amine403854-21-7 2,4-Dichloro-5-aminopyrimidine5177-27-5 3,5-Dichloro-1,4-dihydropyridazin-4-imine53180-76-0 5-Amino-4,6-dichloropyrimidine5413-85-4 3,6-Dichloropyridazin-4-amine823-58-5 2-Amino-3,5-dichloropyrazine873-42-7

Elsewhere

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