2,4,5-Triamino-6-chloropyrimidine hydrochloride

C₄H₇Cl₂N₅CAS 155824-29-6196.03 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₄H₇Cl₂N₅
Molar mass: 196.03 g/mol
Exact mass: 195.0079 Da
logP: 0.30Crippen estimate
Polar surface area: 103.8 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

155824-29-6

SMILES

C1(=C(N=C(N=C1Cl)N)N)N.Cl

InChIKey

SOMJHNVYNAJBGG-UHFFFAOYSA-N

InChI

InChI=1S/C4H6ClN5.ClH/c5-2-1(6)3(7)10-4(8)9-2;/h6H2,(H4,7,8,9,10);1H

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Names and synonyms

1 names

6-Chloropyrimidine-2,4,5-triamine hydrochloride

Work with 2,4,5-Triamino-6-chloropyrimidine hydrochloride

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-4,6-dichloropyrimidine-5-carboxaldehyde5604-46-639 % similar 4,6-Dichloro-2-methyl-5-pyrimidinamine39906-04-239 % similar 4,5-Dichloropyrimidin-2-amine403854-21-735 % similar 2,6-Dichloro-3,4-pyridinediamine101079-63-434 % similar 2,4-Dichloro-5-amino-6-methylpyrimidine13162-27-134 % similar 2-Chloro-6-methylpyrimidine-4,5-diamine63211-98-334 % similar 4-Chloro-1H-pyrazolo[3,4-D]pyrimidin-6-amine100644-65-334 % similar 5-Bromo-4-chloropyrimidin-2-amine1044767-99-833 % similar

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

Elsewhere

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