4-methyl-6-phenylpyrimidine-2-carboxylic acid

C12H10N2O2 — CID 12846711

IUPAC4-methyl-6-phenylpyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccccc2)nc(C(=O)O)n1
InChIInChI=1S/C12H10N2O2/c1-8-7-10(9-5-3-2-4-6-9)14-11(13-8)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyCFBXVYFEKHKFBS-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.15
Rot. Bonds2

About 4-methyl-6-phenylpyrimidine-2-carboxylic acid

4-methyl-6-phenylpyrimidine-2-carboxylic acid (PubChem CID 12846711) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-methyl-6-phenylpyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-phenylpyrimidine-2-carboxylic acid
PubChem CID12846711
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-methyl-6-phenylpyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccccc2)nc(C(=O)O)n1
InChIInChI=1S/C12H10N2O2/c1-8-7-10(9-5-3-2-4-6-9)14-11(13-8)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyCFBXVYFEKHKFBS-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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Related Compounds

4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)
CID 175287242
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid
CID 121285161
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
2-methyl-4,6-diphenylpyridine
CID 618669
1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone
CID 116895387
4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid
CID 116894060
3-amino-3-(4-methyl-6-phenylpyrimidin-2-yl)propanoic acid
CID 116895914
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methyl-6-phenylpyrimidine
CID 137386271
N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide
CID 164614577
4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid
CID 142721426

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenylpyrimidine-2-carboxylic acid?
The IUPAC name of 4-methyl-6-phenylpyrimidine-2-carboxylic acid (CID 12846711) is 4-methyl-6-phenylpyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-6-phenylpyrimidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-6-phenylpyrimidine-2-carboxylic acid is Cc1cc(-c2ccccc2)nc(C(=O)O)n1.
What is the InChIKey of 4-methyl-6-phenylpyrimidine-2-carboxylic acid?
The InChIKey is CFBXVYFEKHKFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-7-10(9-5-3-2-4-6-9)14-11(13-8)12(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 4-methyl-6-phenylpyrimidine-2-carboxylic acid?
4-methyl-6-phenylpyrimidine-2-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 4-methyl-6-phenylpyrimidine-2-carboxylic acid is sourced from PubChem (CID 12846711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).