3-[2-Chloro-4-(cyclopentylamino)-5-pyrimidinyl]-2-propyn-1-ol

C₁₂H₁₄ClN₃OCAS 1374639-76-5251.71 g/mol

Open in Covalent MOL file

Alcohol Alkyne Aryl halide

Properties

Molecular formula: C₁₂H₁₄ClN₃O
Molar mass: 251.71 g/mol
Exact mass: 251.0825 Da
logP: 1.25Crippen estimate
Polar surface area: 61.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

1374639-76-5

SMILES

OCC#Cc1cnc(Cl)[nH]c1=NC1CCCC1

InChIKey

CHGKAGOTEWCHJL-UHFFFAOYSA-N

InChI

InChI=1S/C12H14ClN3O/c13-12-14-8-9(4-3-7-17)11(16-12)15-10-5-1-2-6-10/h8,10,17H,1-2,5-7H2,(H,14,15,16)

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Names and synonyms

1 names

2-Propyn-1-ol, 3-[2-chloro-4-(cyclopentylamino)-5-pyrimidinyl]-

Work with 3-[2-Chloro-4-(cyclopentylamino)-5-pyrimidinyl]-2-propyn-1-ol

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

5-Bromo-2-chloro-N-cyclopentyl-4-pyrimidinamine733039-20-855 % similar

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

Same formula

5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one53786-28-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook