2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid

C12H18N2O3 — CID 114990602

IUPAC2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid
SMILESCC(C)CCC(C)(C(=O)O)n1cccnc1=O
InChIInChI=1S/C12H18N2O3/c1-9(2)5-6-12(3,10(15)16)14-8-4-7-13-11(14)17/h4,7-9H,5-6H2,1-3H3,(H,15,16)
InChIKeyRYXHKWMNQAJHKV-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.48
Rot. Bonds5

About 2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid

2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid (PubChem CID 114990602) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid
PubChem CID114990602
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid
SMILESCC(C)CCC(C)(C(=O)O)n1cccnc1=O
InChIInChI=1S/C12H18N2O3/c1-9(2)5-6-12(3,10(15)16)14-8-4-7-13-11(14)17/h4,7-9H,5-6H2,1-3H3,(H,15,16)
InChIKeyRYXHKWMNQAJHKV-UHFFFAOYSA-N
XLogP1.48
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic 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

(2S)-4-methyl-2-[methyl(2H-pyrimidin-1-ylmethoxycarbonyl)amino]pentanoic acid
CID 142635086
1-(2-Oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235586
1-(2-Oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235599
2-Cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid
CID 82237015
4-Methyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
CID 84015609
2-(2-Oxopyrimidin-1-yl)-2-propylpentanoic acid
CID 93826743
2-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 104594983
2,2-Dimethyl-6-(2-oxopyrimidin-1-yl)hexanoic acid
CID 106714134
3-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 107069864
4-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 114421847
4-Ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 114427235
2,4-Dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
CID 114987523

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid?
The IUPAC name of 2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid (CID 114990602) is 2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid.
What is the SMILES notation for 2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid?
The canonical SMILES for 2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid is CC(C)CCC(C)(C(=O)O)n1cccnc1=O.
What is the InChIKey of 2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid?
The InChIKey is RYXHKWMNQAJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)5-6-12(3,10(15)16)14-8-4-7-13-11(14)17/h4,7-9H,5-6H2,1-3H3,(H,15,16).
What are the key properties of 2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid?
2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid is sourced from PubChem (CID 114990602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).