4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine

C11H14Cl2F2N2O — CID 103146700

IUPAC4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(CCOCC(F)F)nc1Cl
InChIInChI=1S/C11H14Cl2F2N2O/c1-2-3-7-10(12)16-9(17-11(7)13)4-5-18-6-8(14)15/h8H,2-6H2,1H3
InChIKeyZCOLOIYYGJXDIM-UHFFFAOYSA-N
MW299.15 g/mol
LogP3.56
Rot. Bonds7

About 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine

4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine (PubChem CID 103146700) has the molecular formula C11H14Cl2F2N2O and a molecular weight of 299.15 g/mol. Its IUPAC name is 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine
PubChem CID103146700
Molecular FormulaC11H14Cl2F2N2O
Molecular Weight299.15 g/mol
Exact Mass298.05
IUPAC Name4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(CCOCC(F)F)nc1Cl
InChIInChI=1S/C11H14Cl2F2N2O/c1-2-3-7-10(12)16-9(17-11(7)13)4-5-18-6-8(14)15/h8H,2-6H2,1H3
InChIKeyZCOLOIYYGJXDIM-UHFFFAOYSA-N
XLogP3.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 53.56
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-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine 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-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine (CID 103146700) is 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine is CCCc1c(Cl)nc(CCOCC(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine?
The InChIKey is ZCOLOIYYGJXDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2F2N2O/c1-2-3-7-10(12)16-9(17-11(7)13)4-5-18-6-8(14)15/h8H,2-6H2,1H3.
What are the key properties of 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine?
4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine has a molecular weight of 299.15 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine is sourced from PubChem (CID 103146700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).