2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid

C15H16N2O2 — CID 61269584

IUPAC2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid
SMILESCc1cccc(-c2nc(C)c(CC(=O)O)c(C)n2)c1
InChIInChI=1S/C15H16N2O2/c1-9-5-4-6-12(7-9)15-16-10(2)13(8-14(18)19)11(3)17-15/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyDSIFMNJBRQMWOR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.70
Rot. Bonds3

About 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid

2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid (PubChem CID 61269584) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid
PubChem CID61269584
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid
SMILESCc1cccc(-c2nc(C)c(CC(=O)O)c(C)n2)c1
InChIInChI=1S/C15H16N2O2/c1-9-5-4-6-12(7-9)15-16-10(2)13(8-14(18)19)11(3)17-15/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyDSIFMNJBRQMWOR-UHFFFAOYSA-N
XLogP2.70
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-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

N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55113779
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine
CID 62744051
2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82128606
2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 137013046
2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 106792870
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid
CID 79219332
2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3667771
2-[5-(3-methylphenyl)furan-2-yl]acetic acid
CID 35754290
2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 82740850

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid (CID 61269584) is 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid is Cc1cccc(-c2nc(C)c(CC(=O)O)c(C)n2)c1.
What is the InChIKey of 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid?
The InChIKey is DSIFMNJBRQMWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-5-4-6-12(7-9)15-16-10(2)13(8-14(18)19)11(3)17-15/h4-7H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid?
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 61269584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).