6-Bromo-2-chloro-8-cyclopentyl-5-methyl-8H-pyrido(2,3-d)pyrimidin-7-one

C₁₃H₁₃BrClN₃OCAS 1016636-76-2342.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₃BrClN₃O
Molar mass: 342.62 g/mol
Exact mass: 340.9931 Da
logP: 3.63Crippen estimate
Polar surface area: 47.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed16.7% of notifiers
H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation50% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled33.3% of notifiers
H335 May cause respiratory irritation50% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

1016636-76-2

SMILES

Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Cl)ncc12

InChIKey

HJQCAEDIUJXGCQ-UHFFFAOYSA-N

InChI

InChI=1S/C13H13BrClN3O/c1-7-9-6-16-13(15)17-11(9)18(12(19)10(7)14)8-4-2-3-5-8/h6,8H,2-5H2,1H3

Weigh it out

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

Names and synonyms

3 names

6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-D]pyrimidin-7(8H)-one
Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-bromo-2-chloro-8-cyclopentyl-5-methyl-
6-Bromo-2-chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

Work with 6-Bromo-2-chloro-8-cyclopentyl-5-methyl-8H-pyrido(2,3-d)pyrimidin-7-one

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-Chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one1013916-37-457 % similar tert-Butyl 4-(6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido(2,3-d)pyrimidin-2-ylamino)-pyridin-3-yl)-piperazine-1-carboxylate571188-82-449 % similar 2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide1211443-61-642 % similar 2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid1211443-58-141 % similar Palbociclib571190-30-240 % similar Palbociclib hydrochloride827022-32-239 % similar Palbociclib isethionate827022-33-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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