1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid

C11H14N2O3 — CID 82392237

IUPAC1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid
SMILESCc1cc(=O)n2c(c1C(=O)O)N(C)CCC2
InChIInChI=1S/C11H14N2O3/c1-7-6-8(14)13-5-3-4-12(2)10(13)9(7)11(15)16/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyWLDDQMSRPBZWGN-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.69
Rot. Bonds1

About 1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid

1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid (PubChem CID 82392237) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid.

Molecular Properties

Compound Name1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid
PubChem CID82392237
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid
SMILESCc1cc(=O)n2c(c1C(=O)O)N(C)CCC2
InChIInChI=1S/C11H14N2O3/c1-7-6-8(14)13-5-3-4-12(2)10(13)9(7)11(15)16/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyWLDDQMSRPBZWGN-UHFFFAOYSA-N
XLogP0.69
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid 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 1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid?
The IUPAC name of 1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid (CID 82392237) is 1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid.
What is the SMILES notation for 1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid?
The canonical SMILES for 1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid is Cc1cc(=O)n2c(c1C(=O)O)N(C)CCC2.
What is the InChIKey of 1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid?
The InChIKey is WLDDQMSRPBZWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-6-8(14)13-5-3-4-12(2)10(13)9(7)11(15)16/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid?
1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid is sourced from PubChem (CID 82392237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).