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

C11H10N2O3 — CID 1118428

IUPAC2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCOc1nc2c(C)cccn2c(=O)c1C=O
InChIInChI=1S/C11H10N2O3/c1-7-4-3-5-13-9(7)12-10(16-2)8(6-14)11(13)15/h3-6H,1-2H3
InChIKeyYRYDNVBDANKSKN-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.82
Rot. Bonds2

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

2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 1118428) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID1118428
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCOc1nc2c(C)cccn2c(=O)c1C=O
InChIInChI=1S/C11H10N2O3/c1-7-4-3-5-13-9(7)12-10(16-2)8(6-14)11(13)15/h3-6H,1-2H3
InChIKeyYRYDNVBDANKSKN-UHFFFAOYSA-N
XLogP0.82
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 1118428) is 2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is COc1nc2c(C)cccn2c(=O)c1C=O.
What is the InChIKey of 2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is YRYDNVBDANKSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-4-3-5-13-9(7)12-10(16-2)8(6-14)11(13)15/h3-6H,1-2H3.
What are the key properties of 2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 218.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 1118428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).