2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine

C10H11F3N2OS — CID 47143156

IUPAC2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(SCC2CCCO2)n1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)8-3-4-14-9(15-8)17-6-7-2-1-5-16-7/h3-4,7H,1-2,5-6H2
InChIKeyMQJFXRXVUVPCLD-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.77
Rot. Bonds3

About 2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine

2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine (PubChem CID 47143156) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine
PubChem CID47143156
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(SCC2CCCO2)n1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)8-3-4-14-9(15-8)17-6-7-2-1-5-16-7/h3-4,7H,1-2,5-6H2
InChIKeyMQJFXRXVUVPCLD-UHFFFAOYSA-N
XLogP2.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(oxolan-2-ylmethylsulfanyl)-4-(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 2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine (CID 47143156) is 2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(SCC2CCCO2)n1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is MQJFXRXVUVPCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)8-3-4-14-9(15-8)17-6-7-2-1-5-16-7/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine?
2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 264.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 47143156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).