2-methyl-4-phenylpyrimidine-5-carboxylic acid

C12H10N2O2 — CID 2776510

IUPAC2-methyl-4-phenylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(-c2ccccc2)n1
InChIInChI=1S/C12H10N2O2/c1-8-13-7-10(12(15)16)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16)
InChIKeyXKJAQESOTNACHT-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.15
Rot. Bonds2

About 2-methyl-4-phenylpyrimidine-5-carboxylic acid

2-methyl-4-phenylpyrimidine-5-carboxylic acid (PubChem CID 2776510) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-methyl-4-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-phenylpyrimidine-5-carboxylic acid
PubChem CID2776510
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-methyl-4-phenylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(-c2ccccc2)n1
InChIInChI=1S/C12H10N2O2/c1-8-13-7-10(12(15)16)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16)
InChIKeyXKJAQESOTNACHT-UHFFFAOYSA-N
XLogP2.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-methyl-4-phenylpyrimidine-5-carboxylic acid (CID 2776510) is 2-methyl-4-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-phenylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-phenylpyrimidine-5-carboxylic acid?
The InChIKey is XKJAQESOTNACHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-13-7-10(12(15)16)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16).
What are the key properties of 2-methyl-4-phenylpyrimidine-5-carboxylic acid?
2-methyl-4-phenylpyrimidine-5-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 2776510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).