2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C16H13N3O2 — CID 2424851

IUPAC2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(Nc3ccccc3)nc12
InChIInChI=1S/C16H13N3O2/c1-11-6-5-9-19-15(11)18-14(13(10-20)16(19)21)17-12-7-3-2-4-8-12/h2-10,17H,1H3
InChIKeySUZSGHCJOWAXMD-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.56
Rot. Bonds3

About 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 2424851) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID2424851
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(Nc3ccccc3)nc12
InChIInChI=1S/C16H13N3O2/c1-11-6-5-9-19-15(11)18-14(13(10-20)16(19)21)17-12-7-3-2-4-8-12/h2-10,17H,1H3
InChIKeySUZSGHCJOWAXMD-UHFFFAOYSA-N
XLogP2.56
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tgx-221
CID 9907093
2-((2-Chlorophenyl)amino)-4-oxo-4H-pyrido(1,2-a)pyrimidine-3-carboxaldehyde
CID 794779
(5R)-9-[(1R)-1-anilinoethyl]-7-methyl-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 51601993
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(2-methylphenyl)-4-oxo-
CID 3075179
4-oxo-2-[3-(trifluoromethyl)anilino]-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 794775
N-(3-methylphenyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572066
7-methyl-4-oxo-2-(phenylamino)-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 680824
9-Methyl-4-oxo-2-((phenylmethyl)amino)-4H-pyrido(1,2-a)pyrimidine-3-carboxaldehyde
CID 910902
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(4-methylphenyl)-4-oxo-
CID 3075178
7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 962221
4-[(3-formyl-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)amino]benzenesulfonamide
CID 1184809
(E)-2-((2-hydroxyethyl)amino)-9-methyl-3-((phenylimino)methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2311595

Frequently Asked Questions

What is the IUPAC name of 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 2424851) is 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1cccn2c(=O)c(C=O)c(Nc3ccccc3)nc12.
What is the InChIKey of 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is SUZSGHCJOWAXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-6-5-9-19-15(11)18-14(13(10-20)16(19)21)17-12-7-3-2-4-8-12/h2-10,17H,1H3.
What are the key properties of 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 279.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 2424851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).