(4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol

C15H15FN2OS — CID 139894400

IUPAC(4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol
SMILESCSc1ncncc1C1(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN2OS/c1-20-14-12(8-17-9-18-14)15(6-7-15)13(19)10-2-4-11(16)5-3-10/h2-5,8-9,13,19H,6-7H2,1H3
InChIKeyUBJXJJCFLKLCBG-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.10
Rot. Bonds4

About (4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol

(4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol (PubChem CID 139894400) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol
PubChem CID139894400
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name(4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol
SMILESCSc1ncncc1C1(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN2OS/c1-20-14-12(8-17-9-18-14)15(6-7-15)13(19)10-2-4-11(16)5-3-10/h2-5,8-9,13,19H,6-7H2,1H3
InChIKeyUBJXJJCFLKLCBG-UHFFFAOYSA-N
XLogP3.10
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol?
The IUPAC name of (4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol (CID 139894400) is (4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol?
The canonical SMILES for (4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol is CSc1ncncc1C1(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol?
The InChIKey is UBJXJJCFLKLCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-20-14-12(8-17-9-18-14)15(6-7-15)13(19)10-2-4-11(16)5-3-10/h2-5,8-9,13,19H,6-7H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol?
(4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol has a molecular weight of 290.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol is sourced from PubChem (CID 139894400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).