methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate

C12H10N2O3S — CID 66287135

IUPACmethyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(Sc2ccccc2O)n1
InChIInChI=1S/C12H10N2O3S/c1-17-12(16)11-13-7-6-10(14-11)18-9-5-3-2-4-8(9)15/h2-7,15H,1H3
InChIKeyDIQGSIFMSARSLS-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.12
Rot. Bonds3

About methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate

methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate (PubChem CID 66287135) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate
PubChem CID66287135
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Namemethyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(Sc2ccccc2O)n1
InChIInChI=1S/C12H10N2O3S/c1-17-12(16)11-13-7-6-10(14-11)18-9-5-3-2-4-8(9)15/h2-7,15H,1H3
InChIKeyDIQGSIFMSARSLS-UHFFFAOYSA-N
XLogP2.12
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate 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

methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate
CID 66287136
4-(2-methoxycarbonylpyrimidin-4-yl)sulfanylbenzoic acid
CID 66285000
methyl 4-propan-2-ylpyrimidine-2-carboxylate
CID 59618477
methyl 4-chloropyrimidine-2-carboxylate
CID 64989066
methyl 4-tert-butylpyrimidine-2-carboxylate
CID 116901231
methyl 4-(2-phenylsulfanylethylamino)pyrimidine-2-carboxylate
CID 66286042
ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
CID 62028773
methyl 2-amino-3-pyridin-2-ylsulfanylbenzoate
CID 113333406
methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
CID 66287417
methyl 4-[2-(dimethylcarbamoylamino)ethylamino]pyrimidine-2-carboxylate
CID 83114374
methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate
CID 66285647
methyl 4-(3-chloropropyl)pyrimidine-2-carboxylate
CID 141400415

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate (CID 66287135) is methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate is COC(=O)c1nccc(Sc2ccccc2O)n1.
What is the InChIKey of methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate?
The InChIKey is DIQGSIFMSARSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-17-12(16)11-13-7-6-10(14-11)18-9-5-3-2-4-8(9)15/h2-7,15H,1H3.
What are the key properties of methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate?
methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate has a molecular weight of 262.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxyphenyl)sulfanylpyrimidine-2-carboxylate is sourced from PubChem (CID 66287135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).