4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine

C8H6ClF3N2OS — CID 168894269

IUPAC4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(SC2COC2)nc1Cl
InChIInChI=1S/C8H6ClF3N2OS/c9-6-5(8(10,11)12)1-13-7(14-6)16-4-2-15-3-4/h1,4H,2-3H2
InChIKeyPFELCAPNQINGPG-UHFFFAOYSA-N
MW270.66 g/mol
LogP2.64
Rot. Bonds2

About 4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine

4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine (PubChem CID 168894269) has the molecular formula C8H6ClF3N2OS and a molecular weight of 270.66 g/mol. Its IUPAC name is 4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine
PubChem CID168894269
Molecular FormulaC8H6ClF3N2OS
Molecular Weight270.66 g/mol
Exact Mass269.98
IUPAC Name4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(SC2COC2)nc1Cl
InChIInChI=1S/C8H6ClF3N2OS/c9-6-5(8(10,11)12)1-13-7(14-6)16-4-2-15-3-4/h1,4H,2-3H2
InChIKeyPFELCAPNQINGPG-UHFFFAOYSA-N
XLogP2.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.66
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine 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-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine (CID 168894269) is 4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(SC2COC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is PFELCAPNQINGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2OS/c9-6-5(8(10,11)12)1-13-7(14-6)16-4-2-15-3-4/h1,4H,2-3H2.
What are the key properties of 4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine?
4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 270.66 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 168894269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).