4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

C9H9Cl2F3N2O — CID 103146696

IUPAC4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESCc1c(Cl)nc(CCOCC(F)(F)F)nc1Cl
InChIInChI=1S/C9H9Cl2F3N2O/c1-5-7(10)15-6(16-8(5)11)2-3-17-4-9(12,13)14/h2-4H2,1H3
InChIKeyIECORVZZAOZBMX-UHFFFAOYSA-N
MW289.08 g/mol
LogP3.21
Rot. Bonds4

About 4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (PubChem CID 103146696) has the molecular formula C9H9Cl2F3N2O and a molecular weight of 289.08 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
PubChem CID103146696
Molecular FormulaC9H9Cl2F3N2O
Molecular Weight289.08 g/mol
Exact Mass288.00
IUPAC Name4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESCc1c(Cl)nc(CCOCC(F)(F)F)nc1Cl
InChIInChI=1S/C9H9Cl2F3N2O/c1-5-7(10)15-6(16-8(5)11)2-3-17-4-9(12,13)14/h2-4H2,1H3
InChIKeyIECORVZZAOZBMX-UHFFFAOYSA-N
XLogP3.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]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 4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (CID 103146696) is 4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is Cc1c(Cl)nc(CCOCC(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The InChIKey is IECORVZZAOZBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F3N2O/c1-5-7(10)15-6(16-8(5)11)2-3-17-4-9(12,13)14/h2-4H2,1H3.
What are the key properties of 4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine has a molecular weight of 289.08 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is sourced from PubChem (CID 103146696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).