methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate

C14H14N2O3S — CID 4205813

IUPACmethyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc(C)cc(Oc2ccccc2)n1
InChIInChI=1S/C14H14N2O3S/c1-10-8-12(19-11-6-4-3-5-7-11)16-14(15-10)20-9-13(17)18-2/h3-8H,9H2,1-2H3
InChIKeyAEBILZVFDLRHHY-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.84
Rot. Bonds5

About methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate

methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate (PubChem CID 4205813) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate
PubChem CID4205813
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc(C)cc(Oc2ccccc2)n1
InChIInChI=1S/C14H14N2O3S/c1-10-8-12(19-11-6-4-3-5-7-11)16-14(15-10)20-9-13(17)18-2/h3-8H,9H2,1-2H3
InChIKeyAEBILZVFDLRHHY-UHFFFAOYSA-N
XLogP2.84
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate 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 methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate (CID 4205813) is methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate is COC(=O)CSc1nc(C)cc(Oc2ccccc2)n1.
What is the InChIKey of methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate?
The InChIKey is AEBILZVFDLRHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10-8-12(19-11-6-4-3-5-7-11)16-14(15-10)20-9-13(17)18-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate?
methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate has a molecular weight of 290.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 4205813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).