2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid

C13H20N2O3 — CID 43145204

IUPAC2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid
SMILESCCC(CC)n1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C13H20N2O3/c1-5-10(6-2)15-9(4)11(7-12(16)17)8(3)14-13(15)18/h10H,5-7H2,1-4H3,(H,16,17)
InChIKeyHWHGOIUTCHDZKD-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.85
Rot. Bonds5

About 2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid

2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid (PubChem CID 43145204) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid
PubChem CID43145204
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid
SMILESCCC(CC)n1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C13H20N2O3/c1-5-10(6-2)15-9(4)11(7-12(16)17)8(3)14-13(15)18/h10H,5-7H2,1-4H3,(H,16,17)
InChIKeyHWHGOIUTCHDZKD-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic 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-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 43145190
2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 62097253
3-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227196
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 63227242
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227243
2-[4,6-Diethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 79218419
2-[4,6-Diethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 79219323
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933296
3-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933297
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]acetic acid
CID 105933301
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]propanoic acid
CID 106295254
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]acetic acid
CID 106295256

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid (CID 43145204) is 2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid is CCC(CC)n1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid?
The InChIKey is HWHGOIUTCHDZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-10(6-2)15-9(4)11(7-12(16)17)8(3)14-13(15)18/h10H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid?
2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid has a molecular weight of 252.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid is sourced from PubChem (CID 43145204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).