(5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid

C12H10N2O3 — CID 92532498

IUPAC(5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid
SMILESC[C@@H]1C(=O)N=C(c2ccccc2)N=C1C(=O)O
InChIInChI=1S/C12H10N2O3/c1-7-9(12(16)17)13-10(14-11(7)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)/t7-/m0/s1
InChIKeyMNIFIVUBTJGQLR-ZETCQYMHSA-N
MW230.22 g/mol
LogP1.14
Rot. Bonds2

About (5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid

(5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid (PubChem CID 92532498) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is (5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name(5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid
PubChem CID92532498
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name(5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid
SMILESC[C@@H]1C(=O)N=C(c2ccccc2)N=C1C(=O)O
InChIInChI=1S/C12H10N2O3/c1-7-9(12(16)17)13-10(14-11(7)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)/t7-/m0/s1
InChIKeyMNIFIVUBTJGQLR-ZETCQYMHSA-N
XLogP1.14
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid?
The IUPAC name of (5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid (CID 92532498) is (5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for (5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid?
The canonical SMILES for (5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid is C[C@@H]1C(=O)N=C(c2ccccc2)N=C1C(=O)O.
What is the InChIKey of (5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid?
The InChIKey is MNIFIVUBTJGQLR-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7-9(12(16)17)13-10(14-11(7)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)/t7-/m0/s1.
What are the key properties of (5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid?
(5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-6-oxo-2-phenyl-5H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 92532498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).