1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol

C15H17FN2OS — CID 139894397

IUPAC1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol
SMILESCSc1ncncc1C(O)(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H17FN2OS/c1-10(2)15(19,11-4-6-12(16)7-5-11)13-8-17-9-18-14(13)20-3/h4-10,19H,1-3H3
InChIKeyCGIKAXFDWCTUDN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol

1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol (PubChem CID 139894397) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol
PubChem CID139894397
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol
SMILESCSc1ncncc1C(O)(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H17FN2OS/c1-10(2)15(19,11-4-6-12(16)7-5-11)13-8-17-9-18-14(13)20-3/h4-10,19H,1-3H3
InChIKeyCGIKAXFDWCTUDN-UHFFFAOYSA-N
XLogP3.23
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol (CID 139894397) is 1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol is CSc1ncncc1C(O)(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol?
The InChIKey is CGIKAXFDWCTUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-10(2)15(19,11-4-6-12(16)7-5-11)13-8-17-9-18-14(13)20-3/h4-10,19H,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol?
1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol has a molecular weight of 292.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 139894397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).