2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid

C13H12N2O3 — CID 21325503

IUPAC2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid
SMILESCc1nc(C)n(-c2ccccc2)c(=O)c1C(=O)O
InChIInChI=1S/C13H12N2O3/c1-8-11(13(17)18)12(16)15(9(2)14-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,17,18)
InChIKeyTZAOLBBSIBSTFF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.55
Rot. Bonds2

About 2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid

2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid (PubChem CID 21325503) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid
PubChem CID21325503
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid
SMILESCc1nc(C)n(-c2ccccc2)c(=O)c1C(=O)O
InChIInChI=1S/C13H12N2O3/c1-8-11(13(17)18)12(16)15(9(2)14-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,17,18)
InChIKeyTZAOLBBSIBSTFF-UHFFFAOYSA-N
XLogP1.55
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid (CID 21325503) is 2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid is Cc1nc(C)n(-c2ccccc2)c(=O)c1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid?
The InChIKey is TZAOLBBSIBSTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-11(13(17)18)12(16)15(9(2)14-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid?
2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 21325503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).