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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-6-[2-(3-methylbutoxy)ethylsulfanyl]pyrimidine-5-carboxylic acid
CID 61484055
4-(3-hydroxypropylsulfanyl)-2,6-dimethylpyrimidine-5-carboxylic acid
CID 43514150
4-(cyclopropylmethylsulfanyl)-2,6-dimethylpyrimidine-5-carboxylic acid
CID 43560056
2,4-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
CID 43514220
2,4-dimethyl-6-(3-methylsulfonylpropylsulfanyl)pyrimidine-5-carboxylic acid
CID 63190869
2,4-dimethyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
CID 107041016
4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid
CID 43514193
4-(3-amino-2-methyl-3-oxopropyl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 43514289
2,4-dimethyl-6-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfanylpyrimidine-5-carboxylic acid
CID 43514190
2,4-dimethyl-6-(1,2-oxazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid
CID 60870178
6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid
CID 62701108
4-[(5-bromothiophen-3-yl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid
CID 43514125

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).