7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid

C10H12N2O3 — CID 81346340

IUPAC7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid
SMILESCC1(C)CCc2c(C(=O)O)nc(=O)[nH]c21
InChIInChI=1S/C10H12N2O3/c1-10(2)4-3-5-6(8(13)14)11-9(15)12-7(5)10/h3-4H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyNIKCGTJFLRNCDM-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.69
Rot. Bonds1

About 7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid

7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid (PubChem CID 81346340) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid
PubChem CID81346340
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid
SMILESCC1(C)CCc2c(C(=O)O)nc(=O)[nH]c21
InChIInChI=1S/C10H12N2O3/c1-10(2)4-3-5-6(8(13)14)11-9(15)12-7(5)10/h3-4H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyNIKCGTJFLRNCDM-UHFFFAOYSA-N
XLogP0.69
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-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 7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The IUPAC name of 7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid (CID 81346340) is 7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid is CC1(C)CCc2c(C(=O)O)nc(=O)[nH]c21.
What is the InChIKey of 7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The InChIKey is NIKCGTJFLRNCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-10(2)4-3-5-6(8(13)14)11-9(15)12-7(5)10/h3-4H2,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid?
7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-oxo-5,6-dihydro-1H-cyclopenta[d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 81346340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).