(1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol

C15H18N2OS — CID 103431479

IUPAC(1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol
SMILESCc1ccc(SCc2ncc([C@H](C)O)c(C)n2)cc1
InChIInChI=1S/C15H18N2OS/c1-10-4-6-13(7-5-10)19-9-15-16-8-14(12(3)18)11(2)17-15/h4-8,12,18H,9H2,1-3H3/t12-/m0/s1
InChIKeyQGFHAKPMCWGBJA-LBPRGKRZSA-N
MW274.39 g/mol
LogP3.44
Rot. Bonds4

About (1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol

(1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol (PubChem CID 103431479) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol
PubChem CID103431479
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol
SMILESCc1ccc(SCc2ncc([C@H](C)O)c(C)n2)cc1
InChIInChI=1S/C15H18N2OS/c1-10-4-6-13(7-5-10)19-9-15-16-8-14(12(3)18)11(2)17-15/h4-8,12,18H,9H2,1-3H3/t12-/m0/s1
InChIKeyQGFHAKPMCWGBJA-LBPRGKRZSA-N
XLogP3.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol 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

(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431412
(1S)-1-[2-[(3-bromophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431448
1-[2-[(4-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanamine
CID 66144008
2-[(4-bromophenyl)sulfanylmethyl]-5-(1-chloroethyl)-4-methylpyrimidine
CID 66054946
1-[2-[(4-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 66144009
1-[2-[(4-fluorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 66065530
5-bromo-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66303876
2-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 66066026
(1S)-1-[2-[(3,5-dimethylphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431528
4-(difluoromethyl)-2-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 66066999
5-bromo-2-[(4-methylphenyl)sulfanylmethyl]pyrimidine-4-carboxylic acid
CID 106512229
4-amino-2-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carbonitrile
CID 66065637

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol (CID 103431479) is (1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol is Cc1ccc(SCc2ncc([C@H](C)O)c(C)n2)cc1.
What is the InChIKey of (1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol?
The InChIKey is QGFHAKPMCWGBJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-4-6-13(7-5-10)19-9-15-16-8-14(12(3)18)11(2)17-15/h4-8,12,18H,9H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol?
(1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol has a molecular weight of 274.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).