4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid

C14H14N2O3 — CID 82483307

IUPAC4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2nc(=O)[nH]c(C)c2C(=O)O)cc1C
InChIInChI=1S/C14H14N2O3/c1-7-4-5-10(6-8(7)2)12-11(13(17)18)9(3)15-14(19)16-12/h4-6H,1-3H3,(H,17,18)(H,15,16,19)
InChIKeyDDJDLJKSWVHWIW-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.06
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid

4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 82483307) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID82483307
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2nc(=O)[nH]c(C)c2C(=O)O)cc1C
InChIInChI=1S/C14H14N2O3/c1-7-4-5-10(6-8(7)2)12-11(13(17)18)9(3)15-14(19)16-12/h4-6H,1-3H3,(H,17,18)(H,15,16,19)
InChIKeyDDJDLJKSWVHWIW-UHFFFAOYSA-N
XLogP2.06
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid (CID 82483307) is 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid is Cc1ccc(-c2nc(=O)[nH]c(C)c2C(=O)O)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is DDJDLJKSWVHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-7-4-5-10(6-8(7)2)12-11(13(17)18)9(3)15-14(19)16-12/h4-6H,1-3H3,(H,17,18)(H,15,16,19).
What are the key properties of 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82483307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).