[2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol

C13H13FN2OS — CID 66070469

IUPAC[2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(CSc2cccc(F)c2)n1
InChIInChI=1S/C13H13FN2OS/c1-9-5-11(7-17)16-13(15-9)8-18-12-4-2-3-10(14)6-12/h2-6,17H,7-8H2,1H3
InChIKeyGGRBZGDPXHRQFE-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.71
Rot. Bonds4

About [2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol

[2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol (PubChem CID 66070469) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol
PubChem CID66070469
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name[2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(CSc2cccc(F)c2)n1
InChIInChI=1S/C13H13FN2OS/c1-9-5-11(7-17)16-13(15-9)8-18-12-4-2-3-10(14)6-12/h2-6,17H,7-8H2,1H3
InChIKeyGGRBZGDPXHRQFE-UHFFFAOYSA-N
XLogP2.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol (CID 66070469) is [2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol is Cc1cc(CO)nc(CSc2cccc(F)c2)n1.
What is the InChIKey of [2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol?
The InChIKey is GGRBZGDPXHRQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-9-5-11(7-17)16-13(15-9)8-18-12-4-2-3-10(14)6-12/h2-6,17H,7-8H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol?
[2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol has a molecular weight of 264.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 66070469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).