3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one

C17H15ClN4O — CID 764879

IUPAC3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O/c1-11-4-3-9-22-16(11)21-15(19-2)14(17(22)23)10-20-13-7-5-12(18)6-8-13/h3-10,19H,1-2H3/b20-10+
InChIKeyZIPPFLDNILMOTF-KEBDBYFISA-N
MW326.79 g/mol
LogP3.45
Rot. Bonds3

About 3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one

3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 764879) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
PubChem CID764879
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O/c1-11-4-3-9-22-16(11)21-15(19-2)14(17(22)23)10-20-13-7-5-12(18)6-8-13/h3-10,19H,1-2H3/b20-10+
InChIKeyZIPPFLDNILMOTF-KEBDBYFISA-N
XLogP3.45
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one (CID 764879) is 3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one is CNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZIPPFLDNILMOTF-KEBDBYFISA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-11-4-3-9-22-16(11)21-15(19-2)14(17(22)23)10-20-13-7-5-12(18)6-8-13/h3-10,19H,1-2H3/b20-10+.
What are the key properties of 3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 326.79 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)iminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 764879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).