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

C17H16N4O — CID 764877

IUPAC9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccccc1
InChIInChI=1S/C17H16N4O/c1-12-7-6-10-21-16(12)20-15(18-2)14(17(21)22)11-19-13-8-4-3-5-9-13/h3-11,18H,1-2H3/b19-11+
InChIKeyZOQXRPZONDVJEF-YBFXNURJSA-N
MW292.34 g/mol
LogP2.80
Rot. Bonds3

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

9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 764877) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID764877
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccccc1
InChIInChI=1S/C17H16N4O/c1-12-7-6-10-21-16(12)20-15(18-2)14(17(21)22)11-19-13-8-4-3-5-9-13/h3-11,18H,1-2H3/b19-11+
InChIKeyZOQXRPZONDVJEF-YBFXNURJSA-N
XLogP2.80
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.80
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

(2E)-2-cyano-N-methyl-3-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
CID 1832000
(E)-2-((2-hydroxyethyl)amino)-9-methyl-3-((phenylimino)methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2311595
2-anilino-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde oxime
CID 135449161
2-anilino-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde oxime
CID 135449261
2-[(2-fluorophenyl)amino]-3-[(E)-(hydroxyimino)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135635677
3-[(E)-(benzylimino)methyl]-9-methyl-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 764881
(E)-3-((sec-butylimino)methyl)-9-methyl-2-(phenylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4454101
2-m-Tolylamino-3-(m-tolylimino-methyl)-pyrido[1,2-a]pyrimidin-4-one
CID 1159850
2-(benzylamino)-9-methyl-3-[(E)-(phenylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1678649
7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8689031
3-[(3-Chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
CID 761275
(E)-3-(((4-chlorophenyl)imino)methyl)-9-methyl-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 764879

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 764877) is 9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is CNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccccc1.
What is the InChIKey of 9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZOQXRPZONDVJEF-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-7-6-10-21-16(12)20-15(18-2)14(17(21)22)11-19-13-8-4-3-5-9-13/h3-11,18H,1-2H3/b19-11+.
What are the key properties of 9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 292.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(methylamino)-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 764877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).