[2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol

C13H13ClN2OS — CID 114245024

IUPAC[2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol
SMILESCc1cnc(CSc2cccc(Cl)c2)nc1CO
InChIInChI=1S/C13H13ClN2OS/c1-9-6-15-13(16-12(9)7-17)8-18-11-4-2-3-10(14)5-11/h2-6,17H,7-8H2,1H3
InChIKeyHDXOQWMKMFMAQP-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.22
Rot. Bonds4

About [2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol

[2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol (PubChem CID 114245024) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol
PubChem CID114245024
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name[2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol
SMILESCc1cnc(CSc2cccc(Cl)c2)nc1CO
InChIInChI=1S/C13H13ClN2OS/c1-9-6-15-13(16-12(9)7-17)8-18-11-4-2-3-10(14)5-11/h2-6,17H,7-8H2,1H3
InChIKeyHDXOQWMKMFMAQP-UHFFFAOYSA-N
XLogP3.22
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol 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-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol
CID 66148333
2-[(3-chlorophenyl)sulfanylmethyl]-4-ethylpyrimidine-5-carboxylic acid
CID 66148532
(1S)-1-[2-[(3-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103431990
4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-5-iodopyrimidine
CID 66292997
2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 66146663
4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
CID 80550233
3,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 63539043
5-chloro-3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 66146272
1-[2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-4-yl]propan-2-amine
CID 66148956
1-[3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 66147101
5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 66301009
2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
CID 66148751

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol (CID 114245024) is [2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol is Cc1cnc(CSc2cccc(Cl)c2)nc1CO.
What is the InChIKey of [2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol?
The InChIKey is HDXOQWMKMFMAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-9-6-15-13(16-12(9)7-17)8-18-11-4-2-3-10(14)5-11/h2-6,17H,7-8H2,1H3.
What are the key properties of [2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol?
[2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol has a molecular weight of 280.78 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 114245024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).