2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid

C14H14N2O3S — CID 82192317

IUPAC2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid
SMILESCOc1ccc(-c2cc(SCC(=O)O)nc(C)n2)cc1
InChIInChI=1S/C14H14N2O3S/c1-9-15-12(7-13(16-9)20-8-14(17)18)10-3-5-11(19-2)6-4-10/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyVCMALBUWDAYCLR-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.64
Rot. Bonds5

About 2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid

2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid (PubChem CID 82192317) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid
PubChem CID82192317
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid
SMILESCOc1ccc(-c2cc(SCC(=O)O)nc(C)n2)cc1
InChIInChI=1S/C14H14N2O3S/c1-9-15-12(7-13(16-9)20-8-14(17)18)10-3-5-11(19-2)6-4-10/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyVCMALBUWDAYCLR-UHFFFAOYSA-N
XLogP2.64
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(4-methoxyphenyl)-2-methylpyrimidin-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-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetic acid
CID 53214856
benzyl 2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetate
CID 23611374
2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid
CID 94077073
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 3227985
2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetic acid
CID 43935741
N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876870
ethyl 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylacetate
CID 126389744
4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
CID 177437339
N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 40693481
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1180873
2-[[5-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 726825

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid (CID 82192317) is 2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid is COc1ccc(-c2cc(SCC(=O)O)nc(C)n2)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid?
The InChIKey is VCMALBUWDAYCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-15-12(7-13(16-9)20-8-14(17)18)10-3-5-11(19-2)6-4-10/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid?
2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid has a molecular weight of 290.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid is sourced from PubChem (CID 82192317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).