4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid

C14H14N2O2 — CID 82293374

IUPAC4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2ncnc(C)c2C(=O)O)cc1C
InChIInChI=1S/C14H14N2O2/c1-8-4-5-11(6-9(8)2)13-12(14(17)18)10(3)15-7-16-13/h4-7H,1-3H3,(H,17,18)
InChIKeyKIVRJCTULXLANF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.77
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid

4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 82293374) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID82293374
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2ncnc(C)c2C(=O)O)cc1C
InChIInChI=1S/C14H14N2O2/c1-8-4-5-11(6-9(8)2)13-12(14(17)18)10(3)15-7-16-13/h4-7H,1-3H3,(H,17,18)
InChIKeyKIVRJCTULXLANF-UHFFFAOYSA-N
XLogP2.77
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82306772
4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 95478845
4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 82471218
4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82483307
4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82297355
6-methylpyrimidine-4,5-dicarboxylic acid
CID 90696614
methyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045136
2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001590
4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid
CID 65207594
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 82123848
3-(3,4-dimethylphenyl)-1-pentan-3-ylpyrazole-4-carboxylic acid
CID 61270937

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid (CID 82293374) is 4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid is Cc1ccc(-c2ncnc(C)c2C(=O)O)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is KIVRJCTULXLANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-4-5-11(6-9(8)2)13-12(14(17)18)10(3)15-7-16-13/h4-7H,1-3H3,(H,17,18).
What are the key properties of 4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid?
4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82293374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).