6-Chloro-4,5-pyrimidinediamine

C₄H₅ClN₄CAS 4316-98-7144.56 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₄H₅ClN₄
Molar mass: 144.56 g/mol
Exact mass: 144.0203 Da
Melting point: 252 °C (decomposes)
logP: 0.12Crippen estimate
Polar surface area: 78.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Identifiers

CAS number

4316-98-7

SMILES

N=c1[nH]cnc(Cl)c1N

InChIKey

VNSFICAUILKARD-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)

Weigh it out

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

Names and synonyms

8 names

4,5-Pyrimidinediamine, 6-chloro-
Pyrimidine, 4,5-diamino-6-chloro-
4,5-Diamino-6-chloropyrimidine
NSC 36907
6-Chloropyrimidine-4,5-diamine
5,6-Diamino-4-chloropyrimidine
4-Chloropyrimidine-5,6-diamine
6-Chloro-4,5-diaminopyrimidine

Work with 6-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

4,5,6-Pyrimidinetriamine118-70-760 % similar 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde14160-93-151 % similar 6-Chloro-5-methoxy-4-pyrimidinamine5018-41-751 % similar 4,5,6-Triaminopyrimidine sulfate49721-45-146 % similar 5-Amino-4,6-dichloropyrimidine5413-85-445 % similar 5-Bromo-4-chloro-2,3-pyridinediamine1131604-99-341 % similar 4,5-Diaminopyrimidine13754-19-338 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine3680-69-138 % similar

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

Same formula

2-Chloro-4,5-pyrimidinediamine14631-08-4 2,4-Diamino-6-chloropyrimidine156-83-2 3-Chloro-6-hydrazinopyridazine17284-97-8

Elsewhere

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