5-Amino-4,6-dichloropyrimidine

C₄H₃Cl₂N₃CAS 5413-85-4163.99 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₄H₃Cl₂N₃
Molar mass: 163.99 g/mol
Exact mass: 162.9704 Da
Melting point: 145 °C
logP: 1.37Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

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

Aggregated from 49 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

5413-85-4

SMILES

Nc1c(Cl)ncnc1Cl

InChIKey

NIGDWBHWHVHOAD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

5-Pyrimidinamine, 4,6-dichloro-
Pyrimidine, 5-amino-4,6-dichloro-
4,6-Dichloro-5-pyrimidinamine
4,6-Dichloro-5-aminopyrimidine
4,6-Dichloropyrimidin-5-ylamine
NSC 7851

Work with 5-Amino-4,6-dichloropyrimidine

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

4,5,6-Trichloropyrimidine1780-27-452 % similar 2,4-Dichloropyridin-3-amine173772-63-950 % similar 2-Chloropyridine-3,4-diamine39217-08-850 % similar 6-Chloro-5-methylpyrimidin-4-amine14394-56-048 % similar 4-Amino-6-chloropyrimidin-5-ol38953-42-348 % similar 6-Chloro-5-fluoropyrimidin-4-amine851984-15-148 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-548 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-948 % 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 4,6-Dichloro-2-pyrimidinamine56-05-3 3,6-Dichloropyridazin-4-amine823-58-5 2-Amino-3,5-dichloropyrazine873-42-7

Elsewhere

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