[2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

C10H11F3N2OS — CID 114204993

IUPAC[2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(C2CCCS2)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)8-6(5-16)4-14-9(15-8)7-2-1-3-17-7/h4,7,16H,1-3,5H2
InChIKeyAIIIHKXJMQSTTG-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.56
Rot. Bonds2

About [2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

[2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 114204993) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is [2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID114204993
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name[2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(C2CCCS2)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)8-6(5-16)4-14-9(15-8)7-2-1-3-17-7/h4,7,16H,1-3,5H2
InChIKeyAIIIHKXJMQSTTG-UHFFFAOYSA-N
XLogP2.56
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 114204993) is [2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is OCc1cnc(C2CCCS2)nc1C(F)(F)F.
What is the InChIKey of [2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is AIIIHKXJMQSTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)8-6(5-16)4-14-9(15-8)7-2-1-3-17-7/h4,7,16H,1-3,5H2.
What are the key properties of [2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
[2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 264.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114204993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).