4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine

C11H14ClF2IN2O — CID 103146727

IUPAC4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(CCOCC(F)F)nc(Cl)c1I
InChIInChI=1S/C11H14ClF2IN2O/c1-6(2)10-9(15)11(12)17-8(16-10)3-4-18-5-7(13)14/h6-7H,3-5H2,1-2H3
InChIKeyCVJHKTQUCVLHTG-UHFFFAOYSA-N
MW390.60 g/mol
LogP3.68
Rot. Bonds6

About 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine

4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine (PubChem CID 103146727) has the molecular formula C11H14ClF2IN2O and a molecular weight of 390.60 g/mol. Its IUPAC name is 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine
PubChem CID103146727
Molecular FormulaC11H14ClF2IN2O
Molecular Weight390.60 g/mol
Exact Mass389.98
IUPAC Name4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(CCOCC(F)F)nc(Cl)c1I
InChIInChI=1S/C11H14ClF2IN2O/c1-6(2)10-9(15)11(12)17-8(16-10)3-4-18-5-7(13)14/h6-7H,3-5H2,1-2H3
InChIKeyCVJHKTQUCVLHTG-UHFFFAOYSA-N
XLogP3.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine 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-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine (CID 103146727) is 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine is CC(C)c1nc(CCOCC(F)F)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine?
The InChIKey is CVJHKTQUCVLHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2IN2O/c1-6(2)10-9(15)11(12)17-8(16-10)3-4-18-5-7(13)14/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine?
4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine has a molecular weight of 390.60 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-propan-2-ylpyrimidine is sourced from PubChem (CID 103146727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).