2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid

C10H14N2O2S — CID 94077073

IUPAC2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid
SMILESCCCc1cc(SCC(=O)O)nc(C)n1
InChIInChI=1S/C10H14N2O2S/c1-3-4-8-5-9(12-7(2)11-8)15-6-10(13)14/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyOITOTVPBVMTMGP-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.91
Rot. Bonds5

About 2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid

2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid (PubChem CID 94077073) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid
PubChem CID94077073
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid
SMILESCCCc1cc(SCC(=O)O)nc(C)n1
InChIInChI=1S/C10H14N2O2S/c1-3-4-8-5-9(12-7(2)11-8)15-6-10(13)14/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyOITOTVPBVMTMGP-UHFFFAOYSA-N
XLogP1.91
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic 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-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid
CID 82192317
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]acetic acid
CID 114573962
2,4-dimethyl-6-propylpyrimidine
CID 24975150
2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid
CID 62408184
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
2-(6-bromo-4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 97179354
2-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)sulfanylacetic acid
CID 66285605
2-[1-(2-methylphenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62409146
ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80923704
2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid
CID 83852195
2-[2-(carboxymethylsulfanyl)-6-phenylpyrimidin-4-yl]sulfanylacetic acid
CID 2772554
2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid
CID 94077056

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid (CID 94077073) is 2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid is CCCc1cc(SCC(=O)O)nc(C)n1.
What is the InChIKey of 2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is OITOTVPBVMTMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-4-8-5-9(12-7(2)11-8)15-6-10(13)14/h5H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid?
2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 226.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 94077073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).