6-(3-methylphenyl)pyrimidine-4-carboxylic acid

C12H10N2O2 — CID 44633929

IUPAC6-(3-methylphenyl)pyrimidine-4-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)ncn2)c1
InChIInChI=1S/C12H10N2O2/c1-8-3-2-4-9(5-8)10-6-11(12(15)16)14-7-13-10/h2-7H,1H3,(H,15,16)
InChIKeyCTNCLRFUKCAHBY-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.15
Rot. Bonds2

About 6-(3-methylphenyl)pyrimidine-4-carboxylic acid

6-(3-methylphenyl)pyrimidine-4-carboxylic acid (PubChem CID 44633929) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-(3-methylphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-methylphenyl)pyrimidine-4-carboxylic acid
PubChem CID44633929
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name6-(3-methylphenyl)pyrimidine-4-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)ncn2)c1
InChIInChI=1S/C12H10N2O2/c1-8-3-2-4-9(5-8)10-6-11(12(15)16)14-7-13-10/h2-7H,1H3,(H,15,16)
InChIKeyCTNCLRFUKCAHBY-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

6-Phenyl-4-pyrimidinecarboxylic acid
CID 12582972
6-(3-Chlorophenyl)pyrimidine-4-carboxylic acid
CID 44632919
6-(3,4-Dichlorophenyl)pyrimidine-4-carboxylic acid
CID 44633034
6-(3-Chloro-2-fluorophenyl)-4-pyrimidinecarboxylic acid
CID 44633650
6-(3,4-Difluorophenyl)pyrimidine-4-carboxylic acid
CID 67218051
6-(3-Chloro-4-fluorophenyl)-4-pyrimidinecarboxylic acid
CID 67218064
6-(3-Fluorophenyl)pyrimidine-4-carboxylic acid
CID 67218312
6-(3-Chloro-4-methylphenyl)-4-pyrimidinecarboxylic acid
CID 67218735
6-(4-Chloro-3-fluorophenyl)pyrimidine-4-carboxylic acid
CID 71282673
6-(3-Fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
CID 71282761
2-Methylquinazoline-4-carboxylic acid
CID 362511
6-(3,5-Dichlorophenyl)pyrimidine-4-carboxylic acid
CID 44633035

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(3-methylphenyl)pyrimidine-4-carboxylic acid (CID 44633929) is 6-(3-methylphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(3-methylphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(3-methylphenyl)pyrimidine-4-carboxylic acid is Cc1cccc(-c2cc(C(=O)O)ncn2)c1.
What is the InChIKey of 6-(3-methylphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is CTNCLRFUKCAHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-3-2-4-9(5-8)10-6-11(12(15)16)14-7-13-10/h2-7H,1H3,(H,15,16).
What are the key properties of 6-(3-methylphenyl)pyrimidine-4-carboxylic acid?
6-(3-methylphenyl)pyrimidine-4-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 6-(3-methylphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 44633929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).