methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate

C13H12N2O3S — CID 66287136

IUPACmethyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(Sc2ccccc2O)n1
InChIInChI=1S/C13H12N2O3S/c1-8-7-11(15-12(14-8)13(17)18-2)19-10-6-4-3-5-9(10)16/h3-7,16H,1-2H3
InChIKeyWCIQXXKKYUMOHK-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.43
Rot. Bonds3

About methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate

methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate (PubChem CID 66287136) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate
PubChem CID66287136
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Namemethyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(Sc2ccccc2O)n1
InChIInChI=1S/C13H12N2O3S/c1-8-7-11(15-12(14-8)13(17)18-2)19-10-6-4-3-5-9(10)16/h3-7,16H,1-2H3
InChIKeyWCIQXXKKYUMOHK-UHFFFAOYSA-N
XLogP2.43
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-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)sulfanylpyrimidine-2-carboxylate
CID 66287135
2-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)sulfanylacetic acid
CID 66285605
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one
CID 114581057
methyl 4-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-6-methylpyrimidine-2-carboxylate
CID 66285490
methyl 2-[6-chloro-2-(dimethylamino)pyrimidin-4-yl]sulfanylbenzoate
CID 3316055
methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate
CID 66287616
methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66285041
2-(3-methylquinoxalin-2-yl)sulfanylphenol
CID 55067487
methyl 2-[6-(4-methylphenyl)sulfanyl-2-phenylpyrimidin-4-yl]sulfanylbenzoate
CID 3844370
methyl 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 79249417
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate (CID 66287136) is methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(Sc2ccccc2O)n1.
What is the InChIKey of methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate?
The InChIKey is WCIQXXKKYUMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-7-11(15-12(14-8)13(17)18-2)19-10-6-4-3-5-9(10)16/h3-7,16H,1-2H3.
What are the key properties of methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate?
methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 2.43, 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)sulfanyl-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66287136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).