4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine

C8H8ClF3N2OS — CID 106768664

IUPAC4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine
SMILESCOCCSc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2OS/c1-15-2-3-16-6-4-5(9)13-7(14-6)8(10,11)12/h4H,2-3H2,1H3
InChIKeyPNYXIXPPHRKRND-UHFFFAOYSA-N
MW272.68 g/mol
LogP2.89
Rot. Bonds4

About 4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768664) has the molecular formula C8H8ClF3N2OS and a molecular weight of 272.68 g/mol. Its IUPAC name is 4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768664
Molecular FormulaC8H8ClF3N2OS
Molecular Weight272.68 g/mol
Exact Mass272.00
IUPAC Name4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine
SMILESCOCCSc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2OS/c1-15-2-3-16-6-4-5(9)13-7(14-6)8(10,11)12/h4H,2-3H2,1H3
InChIKeyPNYXIXPPHRKRND-UHFFFAOYSA-N
XLogP2.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-6-(2-methoxyethylsulfanyl)-2-(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-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine (CID 106768664) is 4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine is COCCSc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is PNYXIXPPHRKRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2OS/c1-15-2-3-16-6-4-5(9)13-7(14-6)8(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 272.68 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).