2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C11H16N2O4 — CID 116728170

IUPAC2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(c1ncc(C(=O)O)c(=O)[nH]1)C(C)C
InChIInChI=1S/C11H16N2O4/c1-4-17-8(6(2)3)9-12-5-7(11(15)16)10(14)13-9/h5-6,8H,4H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyRLZLQLIBOMJSNZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.20
Rot. Bonds5

About 2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116728170) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116728170
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(c1ncc(C(=O)O)c(=O)[nH]1)C(C)C
InChIInChI=1S/C11H16N2O4/c1-4-17-8(6(2)3)9-12-5-7(11(15)16)10(14)13-9/h5-6,8H,4H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyRLZLQLIBOMJSNZ-UHFFFAOYSA-N
XLogP1.20
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-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

Related Compounds

2-(2-Methoxypropan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 79198178
6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid
CID 103476106
6-oxo-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-5-carboxylic acid
CID 113819999
4-Hydroxy-2-methoxymethyl-pyrimidine-5-carboxylic acid
CID 62020376
2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 89471214
ethyl 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 89471593
2-(2-Methoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 30031665
2-Isobutyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 62020559
6-Oxo-2-(propoxymethyl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 62021111
ethyl 6-oxo-2-(propoxymethyl)-1H-pyrimidine-5-carboxylate
CID 62022841
2-(Butan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 63717809
2-(1-Ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 64533216

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116728170) is 2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CCOC(c1ncc(C(=O)O)c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is RLZLQLIBOMJSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-17-8(6(2)3)9-12-5-7(11(15)16)10(14)13-9/h5-6,8H,4H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116728170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).