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

C26H26N4O — CID 2149733

IUPAC9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(C/N=C/c2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1
InChIInChI=1S/C26H26N4O/c1-18-6-10-21(11-7-18)15-27-17-23-24(28-16-22-12-8-19(2)9-13-22)29-25-20(3)5-4-14-30(25)26(23)31/h4-14,17,28H,15-16H2,1-3H3/b27-17+
InChIKeyZUKRFFKJUPNKAV-WPWMEQJKSA-N
MW410.52 g/mol
LogP4.85
Rot. Bonds6

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

9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 2149733) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID2149733
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(C/N=C/c2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1
InChIInChI=1S/C26H26N4O/c1-18-6-10-21(11-7-18)15-27-17-23-24(28-16-22-12-8-19(2)9-13-22)29-25-20(3)5-4-14-30(25)26(23)31/h4-14,17,28H,15-16H2,1-3H3/b27-17+
InChIKeyZUKRFFKJUPNKAV-WPWMEQJKSA-N
XLogP4.85
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-3-[(4-methoxyphenyl)methyliminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 1189624
2-(furan-2-ylmethylamino)-3-(furan-2-ylmethyliminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 2853421
2-(2-hydroxyethylamino)-3-[(Z)-hydroxyiminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 136904756
(5Z)-3-[(2S)-butan-2-yl]-5-[[9-methyl-2-[(4-methylphenyl)methylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 92519927
3-[(Z)-hydroxyiminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
CID 136851982
(5Z)-3-(furan-2-ylmethyl)-5-[[9-methyl-2-[(4-methylphenyl)methylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6305298
3-[[(2S)-butan-2-yl]iminomethyl]-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 2324129
[[2-(furan-2-ylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]urea
CID 4677433
2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 4080507
2-(1,3-benzoxazol-2-ylsulfanyl)-3-(benzyliminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 21178109
[[2-[[(2R)-butan-2-yl]amino]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]thiourea
CID 958866
(5Z)-5-[[2-(3-methoxypropylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6070811

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one (CID 2149733) is 9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(C/N=C/c2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1.
What is the InChIKey of 9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZUKRFFKJUPNKAV-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H26N4O/c1-18-6-10-21(11-7-18)15-27-17-23-24(28-16-22-12-8-19(2)9-13-22)29-25-20(3)5-4-14-30(25)26(23)31/h4-14,17,28H,15-16H2,1-3H3/b27-17+.
What are the key properties of 9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 410.52 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2149733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).