2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid

C11H16N2O2S — CID 16770418

IUPAC2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(SCC(C)C)n1
InChIInChI=1S/C11H16N2O2S/c1-6(2)5-16-10-9(11(14)15)7(3)12-8(4)13-10/h6H,5H2,1-4H3,(H,14,15)
InChIKeyRAPXAKYOEBSMTQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.54
Rot. Bonds4

About 2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid

2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid (PubChem CID 16770418) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid
PubChem CID16770418
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(SCC(C)C)n1
InChIInChI=1S/C11H16N2O2S/c1-6(2)5-16-10-9(11(14)15)7(3)12-8(4)13-10/h6H,5H2,1-4H3,(H,14,15)
InChIKeyRAPXAKYOEBSMTQ-UHFFFAOYSA-N
XLogP2.54
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid (CID 16770418) is 2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid is Cc1nc(C)c(C(=O)O)c(SCC(C)C)n1.
What is the InChIKey of 2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid?
The InChIKey is RAPXAKYOEBSMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-6(2)5-16-10-9(11(14)15)7(3)12-8(4)13-10/h6H,5H2,1-4H3,(H,14,15).
What are the key properties of 2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid?
2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 16770418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).