2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid

C13H20N2O3 — CID 106714185

IUPAC2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid
SMILESCc1cnc(=O)n(CCCCC(C)(C)C(=O)O)c1
InChIInChI=1S/C13H20N2O3/c1-10-8-14-12(18)15(9-10)7-5-4-6-13(2,3)11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyJYUJAYQXRNUYAW-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.83
Rot. Bonds6

About 2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid

2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid (PubChem CID 106714185) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid
PubChem CID106714185
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid
SMILESCc1cnc(=O)n(CCCCC(C)(C)C(=O)O)c1
InChIInChI=1S/C13H20N2O3/c1-10-8-14-12(18)15(9-10)7-5-4-6-13(2,3)11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyJYUJAYQXRNUYAW-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-6-(5-methyl-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

Ethyl 6-(5-methyl-2-oxopyrimidin-1-yl)hexanoate
CID 64294302
6-(5-Methyl-2-oxopyrimidin-1-yl)hexanoic acid
CID 64298388
2,2-Dimethyl-4-(5-methyl-2-oxopyrimidin-1-yl)butanoic acid
CID 65248471
2,2-Dimethyl-5-(5-methyl-2-oxopyrimidin-1-yl)pentanoic acid
CID 65255155
2-[1-[(5-Methyl-2-oxopyrimidin-1-yl)methyl]cyclopropyl]acetic acid
CID 65496336
2,2-Dimethyl-6-(2-oxopyrimidin-1-yl)hexanoic acid
CID 106714134

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid?
The IUPAC name of 2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid (CID 106714185) is 2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid is Cc1cnc(=O)n(CCCCC(C)(C)C(=O)O)c1.
What is the InChIKey of 2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid?
The InChIKey is JYUJAYQXRNUYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-8-14-12(18)15(9-10)7-5-4-6-13(2,3)11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid?
2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(5-methyl-2-oxopyrimidin-1-yl)hexanoic acid is sourced from PubChem (CID 106714185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).