[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol

C12H11ClN2OS — CID 114865556

IUPAC[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
SMILESCc1ccnc(Sc2ccc(Cl)cc2CO)n1
InChIInChI=1S/C12H11ClN2OS/c1-8-4-5-14-12(15-8)17-11-3-2-10(13)6-9(11)7-16/h2-6,16H,7H2,1H3
InChIKeyMQNDRWOKUVKDMD-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.08
Rot. Bonds3

About [5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol

[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol (PubChem CID 114865556) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is [5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
PubChem CID114865556
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
SMILESCc1ccnc(Sc2ccc(Cl)cc2CO)n1
InChIInChI=1S/C12H11ClN2OS/c1-8-4-5-14-12(15-8)17-11-3-2-10(13)6-9(11)7-16/h2-6,16H,7H2,1H3
InChIKeyMQNDRWOKUVKDMD-UHFFFAOYSA-N
XLogP3.08
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol?
The IUPAC name of [5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol (CID 114865556) is [5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol.
What is the SMILES notation for [5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol?
The canonical SMILES for [5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol is Cc1ccnc(Sc2ccc(Cl)cc2CO)n1.
What is the InChIKey of [5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol?
The InChIKey is MQNDRWOKUVKDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-4-5-14-12(15-8)17-11-3-2-10(13)6-9(11)7-16/h2-6,16H,7H2,1H3.
What are the key properties of [5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol?
[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol has a molecular weight of 266.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol is sourced from PubChem (CID 114865556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).