2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol

C13H14FN3OS — CID 110883647

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol
SMILESCc1cc(N)nc(SCC(O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3OS/c1-8-6-12(15)17-13(16-8)19-7-11(18)9-2-4-10(14)5-3-9/h2-6,11,18H,7H2,1H3,(H2,15,16,17)
InChIKeyBMSHVXDYGPMKJY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.33
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol (PubChem CID 110883647) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol
PubChem CID110883647
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol
SMILESCc1cc(N)nc(SCC(O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3OS/c1-8-6-12(15)17-13(16-8)19-7-11(18)9-2-4-10(14)5-3-9/h2-6,11,18H,7H2,1H3,(H2,15,16,17)
InChIKeyBMSHVXDYGPMKJY-UHFFFAOYSA-N
XLogP2.33
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol 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 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol (CID 110883647) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol is Cc1cc(N)nc(SCC(O)c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
The InChIKey is BMSHVXDYGPMKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8-6-12(15)17-13(16-8)19-7-11(18)9-2-4-10(14)5-3-9/h2-6,11,18H,7H2,1H3,(H2,15,16,17).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol has a molecular weight of 279.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 110883647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).