2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid

C9H10N2O3 — CID 165410561

IUPAC2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCn1c(C2CC2)nc(C(=O)O)cc1=O
InChIInChI=1S/C9H10N2O3/c1-11-7(12)4-6(9(13)14)10-8(11)5-2-3-5/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyRKLYLKCAYOBWPA-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.36
Rot. Bonds2

About 2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid

2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid (PubChem CID 165410561) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid
PubChem CID165410561
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCn1c(C2CC2)nc(C(=O)O)cc1=O
InChIInChI=1S/C9H10N2O3/c1-11-7(12)4-6(9(13)14)10-8(11)5-2-3-5/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyRKLYLKCAYOBWPA-UHFFFAOYSA-N
XLogP0.36
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-methyl-6-oxopyrimidine-4-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 2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid (CID 165410561) is 2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid is Cn1c(C2CC2)nc(C(=O)O)cc1=O.
What is the InChIKey of 2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The InChIKey is RKLYLKCAYOBWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-11-7(12)4-6(9(13)14)10-8(11)5-2-3-5/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid?
2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-6-oxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 165410561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).