chempirical

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one

C11H11ClN2OCAS 41078-70-0222.67 g/mol

Open in Covalent MOL file
NNOCl
Alkyl halide

Properties

Molecular formula
C11H11ClN2O
Molar mass
222.67 g/mol
Exact mass
222.0560 Da
Melting point
140–142 °C
logP
1.78Crippen estimate
Polar surface area
34.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
41078-70-0
SMILES
Cc1nc2ccccn2c(=O)c1CCCl
InChIKey
LFTGLYCNMGGMKL-UHFFFAOYSA-N
InChI
InChI=1S/C11H11ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-4,7H,5-6H2,1H3

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Names and synonyms

2 names
  • 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-
  • 3-(2-Chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one

Work with 3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-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

3-(2-Chloroethyl)-2-methyl-9-(phenylmethoxy)-4H-pyrido[1,2-A]pyrimidin-4-one147687-17-057 % similar 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one63234-80-047 % similar 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one130049-82-044 % similar 3-Formyl-2-phenylimidazo[1,2-A]pyridine3672-39-731 % similar

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

Elsewhere

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