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

C23H20N4O — CID 3275076

IUPAC2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(/N=C/c2c(Nc3ccccc3)nc3c(C)cccn3c2=O)cc1
InChIInChI=1S/C23H20N4O/c1-16-10-12-18(13-11-16)24-15-20-21(25-19-8-4-3-5-9-19)26-22-17(2)7-6-14-27(22)23(20)28/h3-15,25H,1-2H3/b24-15+
InChIKeyYUIKLHIMFZHJFF-BUVRLJJBSA-N
MW368.44 g/mol
LogP4.81
Rot. Bonds4

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

2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 3275076) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID3275076
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(/N=C/c2c(Nc3ccccc3)nc3c(C)cccn3c2=O)cc1
InChIInChI=1S/C23H20N4O/c1-16-10-12-18(13-11-16)24-15-20-21(25-19-8-4-3-5-9-19)26-22-17(2)7-6-14-27(22)23(20)28/h3-15,25H,1-2H3/b24-15+
InChIKeyYUIKLHIMFZHJFF-BUVRLJJBSA-N
XLogP4.81
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.81
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 2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one (CID 3275076) is 2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(/N=C/c2c(Nc3ccccc3)nc3c(C)cccn3c2=O)cc1.
What is the InChIKey of 2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YUIKLHIMFZHJFF-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-10-12-18(13-11-16)24-15-20-21(25-19-8-4-3-5-9-19)26-22-17(2)7-6-14-27(22)23(20)28/h3-15,25H,1-2H3/b24-15+.
What are the key properties of 2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 368.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-9-methyl-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3275076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).