4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid

C10H12N2O2 — CID 155191180

IUPAC4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESC=C1C=C(C(=O)O)N=C2CCCCN12
InChIInChI=1S/C10H12N2O2/c1-7-6-8(10(13)14)11-9-4-2-3-5-12(7)9/h6H,1-5H2,(H,13,14)
InChIKeyAKUWRVJOLGJRIB-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.37
Rot. Bonds1

About 4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid

4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 155191180) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID155191180
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESC=C1C=C(C(=O)O)N=C2CCCCN12
InChIInChI=1S/C10H12N2O2/c1-7-6-8(10(13)14)11-9-4-2-3-5-12(7)9/h6H,1-5H2,(H,13,14)
InChIKeyAKUWRVJOLGJRIB-UHFFFAOYSA-N
XLogP1.37
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-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 4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 155191180) is 4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid is C=C1C=C(C(=O)O)N=C2CCCCN12.
What is the InChIKey of 4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is AKUWRVJOLGJRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-6-8(10(13)14)11-9-4-2-3-5-12(7)9/h6H,1-5H2,(H,13,14).
What are the key properties of 4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 155191180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).