(4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol

C12H11FN2OS — CID 139894396

IUPAC(4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncncc1C(O)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2OS/c1-17-12-10(6-14-7-15-12)11(16)8-2-4-9(13)5-3-8/h2-7,11,16H,1H3
InChIKeyWUQWSHYTAPMZMG-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.42
Rot. Bonds3

About (4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol

(4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol (PubChem CID 139894396) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol
PubChem CID139894396
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name(4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncncc1C(O)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2OS/c1-17-12-10(6-14-7-15-12)11(16)8-2-4-9(13)5-3-8/h2-7,11,16H,1H3
InChIKeyWUQWSHYTAPMZMG-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol?
The IUPAC name of (4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol (CID 139894396) is (4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol?
The canonical SMILES for (4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol is CSc1ncncc1C(O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol?
The InChIKey is WUQWSHYTAPMZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-17-12-10(6-14-7-15-12)11(16)8-2-4-9(13)5-3-8/h2-7,11,16H,1H3.
What are the key properties of (4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol?
(4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol has a molecular weight of 250.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol is sourced from PubChem (CID 139894396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).