2-Amino-4-chloro-5H-pyrrolo[3,2-D]pyrimidine

C₆H₅ClN₄CAS 943736-58-1168.58 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅ClN₄
Molar mass: 168.58 g/mol
Exact mass: 168.0203 Da
logP: 1.19Crippen estimate
Polar surface area: 67.6 Å²
H-bond donors / acceptors: 2 / 3
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

943736-58-1

SMILES

C1=CNC2=C1N=C(N=C2Cl)N

InChIKey

NCSPBRYDQWLYLE-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN4/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H,(H2,8,10,11)

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Names and synonyms

1 names

4-Chloro-5H-pyrrolo(3,2-d)pyrimidin-2-amine

Work with 2-Amino-4-chloro-5H-pyrrolo[3,2-D]pyrimidine

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

2,4-Dichloro-5H-pyrrolo[3,2-D]pyrimidine63200-54-465 % similar 4-Chloro-5H-pyrrolo[3,2-D] pyrimidine84905-80-650 % similar 9-Deazaguanine65996-58-941 % similar 4-Chloro-1H-pyrazolo[3,4-D]pyrimidin-6-amine100644-65-338 % similar 5H-Pyrrolo[3,2-D]pyrimidin-4-amine (9ci)2227-98-738 % similar 7-Chloro-1H-pyrrolo[2,3-c]pyridine357263-41-338 % similar 7-Chloro-1H-pyrrolo[3,2-b]pyridine357263-48-038 % similar 4,5-Dichloropyrimidin-2-amine403854-21-736 % similar

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

Same formula

6-Chloro-imidazo[1,2-B]pyridazin-3-amine166176-45-0 4-Chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine23000-43-3 6-Chloro-9-methylpurine2346-74-9 2-Amino-4-chloropyrrolo[2,3-D]pyrimidine84955-31-7 2-Amino-6-chloroimidazo[1,2-B]pyridazine887625-09-4

Elsewhere

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