[4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol

C12H11FN2OS — CID 46941731

IUPAC[4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol
SMILESCSc1ncc(CO)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2OS/c1-17-12-14-6-9(7-16)11(15-12)8-2-4-10(13)5-3-8/h2-6,16H,7H2,1H3
InChIKeyFZCJKELZRQLVIC-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.50
Rot. Bonds3

About [4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol

[4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol (PubChem CID 46941731) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol
PubChem CID46941731
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name[4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol
SMILESCSc1ncc(CO)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2OS/c1-17-12-14-6-9(7-16)11(15-12)8-2-4-10(13)5-3-8/h2-6,16H,7H2,1H3
InChIKeyFZCJKELZRQLVIC-UHFFFAOYSA-N
XLogP2.50
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol (CID 46941731) is [4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol is CSc1ncc(CO)c(-c2ccc(F)cc2)n1.
What is the InChIKey of [4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol?
The InChIKey is FZCJKELZRQLVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-17-12-14-6-9(7-16)11(15-12)8-2-4-10(13)5-3-8/h2-6,16H,7H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol?
[4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol has a molecular weight of 250.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-methylsulfanylpyrimidin-5-yl]methanol is sourced from PubChem (CID 46941731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).