4-(4-methylphenyl)pyrimidine-5-carboxylic acid

C12H10N2O2 — CID 58828782

IUPAC4-(4-methylphenyl)pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2ncncc2C(=O)O)cc1
InChIInChI=1S/C12H10N2O2/c1-8-2-4-9(5-3-8)11-10(12(15)16)6-13-7-14-11/h2-7H,1H3,(H,15,16)
InChIKeyHKUKXHPALDNTJL-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.15
Rot. Bonds2

About 4-(4-methylphenyl)pyrimidine-5-carboxylic acid

4-(4-methylphenyl)pyrimidine-5-carboxylic acid (PubChem CID 58828782) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(4-methylphenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylphenyl)pyrimidine-5-carboxylic acid
PubChem CID58828782
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-(4-methylphenyl)pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2ncncc2C(=O)O)cc1
InChIInChI=1S/C12H10N2O2/c1-8-2-4-9(5-3-8)11-10(12(15)16)6-13-7-14-11/h2-7H,1H3,(H,15,16)
InChIKeyHKUKXHPALDNTJL-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 4-(4-methylphenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-methylphenyl)pyrimidine-5-carboxylic acid (CID 58828782) is 4-(4-methylphenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-methylphenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-methylphenyl)pyrimidine-5-carboxylic acid is Cc1ccc(-c2ncncc2C(=O)O)cc1.
What is the InChIKey of 4-(4-methylphenyl)pyrimidine-5-carboxylic acid?
The InChIKey is HKUKXHPALDNTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-2-4-9(5-3-8)11-10(12(15)16)6-13-7-14-11/h2-7H,1H3,(H,15,16).
What are the key properties of 4-(4-methylphenyl)pyrimidine-5-carboxylic acid?
4-(4-methylphenyl)pyrimidine-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 4-(4-methylphenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 58828782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).