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

C12H11ClN2OS — CID 66148333

IUPAC[2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol
SMILESOCc1cnc(CSc2cccc(Cl)c2)nc1
InChIInChI=1S/C12H11ClN2OS/c13-10-2-1-3-11(4-10)17-8-12-14-5-9(7-16)6-15-12/h1-6,16H,7-8H2
InChIKeyMDWOYGMSLONUOL-UHFFFAOYSA-N
MW266.75 g/mol
LogP2.91
Rot. Bonds4

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

[2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol (PubChem CID 66148333) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol
PubChem CID66148333
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name[2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol
SMILESOCc1cnc(CSc2cccc(Cl)c2)nc1
InChIInChI=1S/C12H11ClN2OS/c13-10-2-1-3-11(4-10)17-8-12-14-5-9(7-16)6-15-12/h1-6,16H,7-8H2
InChIKeyMDWOYGMSLONUOL-UHFFFAOYSA-N
XLogP2.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol
CID 114245024
2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 60620513
5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62646506
4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
CID 80550233
2-[(3-chlorophenyl)sulfanylmethyl]-4-ethylpyrimidine-5-carboxylic acid
CID 66148532
5-chloro-3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 66146272
(1S)-1-[2-[(3-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103431990
[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol
CID 66146896
3,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 63539043
4-[(3-chlorophenyl)sulfanylmethyl]benzonitrile
CID 62646634
3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66148676
1-[3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 66147101

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol?
The IUPAC name of [2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol (CID 66148333) is [2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol is OCc1cnc(CSc2cccc(Cl)c2)nc1.
What is the InChIKey of [2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol?
The InChIKey is MDWOYGMSLONUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-10-2-1-3-11(4-10)17-8-12-14-5-9(7-16)6-15-12/h1-6,16H,7-8H2.
What are the key properties of [2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol?
[2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol has a molecular weight of 266.75 g/mol, XLogP of 2.91, 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]pyrimidin-5-yl]methanol is sourced from PubChem (CID 66148333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).