2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid

C13H18N2O2S — CID 16773809

IUPAC2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CC2)nc(SCC(C)C)c1C(=O)O
InChIInChI=1S/C13H18N2O2S/c1-7(2)6-18-12-10(13(16)17)8(3)14-11(15-12)9-4-5-9/h7,9H,4-6H2,1-3H3,(H,16,17)
InChIKeyADOMFIPBDFACPH-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.11
Rot. Bonds5

About 2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid

2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid (PubChem CID 16773809) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid
PubChem CID16773809
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CC2)nc(SCC(C)C)c1C(=O)O
InChIInChI=1S/C13H18N2O2S/c1-7(2)6-18-12-10(13(16)17)8(3)14-11(15-12)9-4-5-9/h7,9H,4-6H2,1-3H3,(H,16,17)
InChIKeyADOMFIPBDFACPH-UHFFFAOYSA-N
XLogP3.11
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid (CID 16773809) is 2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid is Cc1nc(C2CC2)nc(SCC(C)C)c1C(=O)O.
What is the InChIKey of 2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid?
The InChIKey is ADOMFIPBDFACPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-7(2)6-18-12-10(13(16)17)8(3)14-11(15-12)9-4-5-9/h7,9H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid?
2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid has a molecular weight of 266.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 16773809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).