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

C18H18N4O — CID 764881

IUPAC3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2c(C)cccn2c(=O)c1/C=N/Cc1ccccc1
InChIInChI=1S/C18H18N4O/c1-13-7-6-10-22-17(13)21-16(19-2)15(18(22)23)12-20-11-14-8-4-3-5-9-14/h3-10,12,19H,11H2,1-2H3/b20-12+
InChIKeyRWOZXIGIGUNXAW-UDWIEESQSA-N
MW306.37 g/mol
LogP2.66
Rot. Bonds4

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

3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 764881) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
PubChem CID764881
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2c(C)cccn2c(=O)c1/C=N/Cc1ccccc1
InChIInChI=1S/C18H18N4O/c1-13-7-6-10-22-17(13)21-16(19-2)15(18(22)23)12-20-11-14-8-4-3-5-9-14/h3-10,12,19H,11H2,1-2H3/b20-12+
InChIKeyRWOZXIGIGUNXAW-UDWIEESQSA-N
XLogP2.66
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.66
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-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one (CID 764881) is 3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one is CNc1nc2c(C)cccn2c(=O)c1/C=N/Cc1ccccc1.
What is the InChIKey of 3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RWOZXIGIGUNXAW-UDWIEESQSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-7-6-10-22-17(13)21-16(19-2)15(18(22)23)12-20-11-14-8-4-3-5-9-14/h3-10,12,19H,11H2,1-2H3/b20-12+.
What are the key properties of 3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 306.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 764881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).