2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid

C16H18N2O2 — CID 82305985

IUPAC2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid
SMILESCc1cc(C)c(-c2nc(C)nc(C)c2C(=O)O)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-8-6-9(2)13(10(3)7-8)15-14(16(19)20)11(4)17-12(5)18-15/h6-7H,1-5H3,(H,19,20)
InChIKeyFUKAGFWBGZCVPK-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.38
Rot. Bonds2

About 2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid

2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid (PubChem CID 82305985) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid
PubChem CID82305985
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid
SMILESCc1cc(C)c(-c2nc(C)nc(C)c2C(=O)O)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-8-6-9(2)13(10(3)7-8)15-14(16(19)20)11(4)17-12(5)18-15/h6-7H,1-5H3,(H,19,20)
InChIKeyFUKAGFWBGZCVPK-UHFFFAOYSA-N
XLogP3.38
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid (CID 82305985) is 2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid is Cc1cc(C)c(-c2nc(C)nc(C)c2C(=O)O)c(C)c1.
What is the InChIKey of 2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid?
The InChIKey is FUKAGFWBGZCVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-8-6-9(2)13(10(3)7-8)15-14(16(19)20)11(4)17-12(5)18-15/h6-7H,1-5H3,(H,19,20).
What are the key properties of 2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid?
2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82305985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).