4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid

C11H10N2O2S — CID 165448478

IUPAC4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1ccsc1-c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C11H10N2O2S/c1-6-3-4-16-9(6)10-12-5-8(11(14)15)7(2)13-10/h3-5H,1-2H3,(H,14,15)
InChIKeyHGSJLLZQLUHHKH-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.52
Rot. Bonds2

About 4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid

4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 165448478) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid
PubChem CID165448478
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1ccsc1-c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C11H10N2O2S/c1-6-3-4-16-9(6)10-12-5-8(11(14)15)7(2)13-10/h3-5H,1-2H3,(H,14,15)
InChIKeyHGSJLLZQLUHHKH-UHFFFAOYSA-N
XLogP2.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid (CID 165448478) is 4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid is Cc1ccsc1-c1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is HGSJLLZQLUHHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-6-3-4-16-9(6)10-12-5-8(11(14)15)7(2)13-10/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylthiophen-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 165448478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).