[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol

C13H13FN2OS — CID 63835588

IUPAC[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol
SMILESCc1cc(C)nc(Sc2ccc(CO)cc2F)n1
InChIInChI=1S/C13H13FN2OS/c1-8-5-9(2)16-13(15-8)18-12-4-3-10(7-17)6-11(12)14/h3-6,17H,7H2,1-2H3
InChIKeyDLQHWBHSXHTTIZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.88
Rot. Bonds3

About [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol

[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol (PubChem CID 63835588) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol
PubChem CID63835588
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol
SMILESCc1cc(C)nc(Sc2ccc(CO)cc2F)n1
InChIInChI=1S/C13H13FN2OS/c1-8-5-9(2)16-13(15-8)18-12-4-3-10(7-17)6-11(12)14/h3-6,17H,7H2,1-2H3
InChIKeyDLQHWBHSXHTTIZ-UHFFFAOYSA-N
XLogP2.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol?
The IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol (CID 63835588) is [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol?
The canonical SMILES for [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol is Cc1cc(C)nc(Sc2ccc(CO)cc2F)n1.
What is the InChIKey of [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol?
The InChIKey is DLQHWBHSXHTTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8-5-9(2)16-13(15-8)18-12-4-3-10(7-17)6-11(12)14/h3-6,17H,7H2,1-2H3.
What are the key properties of [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol?
[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol has a molecular weight of 264.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol is sourced from PubChem (CID 63835588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).