4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine

C13H10BrClF2N2O — CID 106943650

IUPAC4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine
SMILESCCOCc1nc(Cl)cc(-c2c(F)ccc(Br)c2F)n1
InChIInChI=1S/C13H10BrClF2N2O/c1-2-20-6-11-18-9(5-10(15)19-11)12-8(16)4-3-7(14)13(12)17/h3-5H,2,6H2,1H3
InChIKeyUONJKTWWJCATBF-UHFFFAOYSA-N
MW363.59 g/mol
LogP4.37
Rot. Bonds4

About 4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine

4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine (PubChem CID 106943650) has the molecular formula C13H10BrClF2N2O and a molecular weight of 363.59 g/mol. Its IUPAC name is 4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine
PubChem CID106943650
Molecular FormulaC13H10BrClF2N2O
Molecular Weight363.59 g/mol
Exact Mass361.96
IUPAC Name4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine
SMILESCCOCc1nc(Cl)cc(-c2c(F)ccc(Br)c2F)n1
InChIInChI=1S/C13H10BrClF2N2O/c1-2-20-6-11-18-9(5-10(15)19-11)12-8(16)4-3-7(14)13(12)17/h3-5H,2,6H2,1H3
InChIKeyUONJKTWWJCATBF-UHFFFAOYSA-N
XLogP4.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)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-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine?
The IUPAC name of 4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine (CID 106943650) is 4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine.
What is the SMILES notation for 4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine?
The canonical SMILES for 4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine is CCOCc1nc(Cl)cc(-c2c(F)ccc(Br)c2F)n1.
What is the InChIKey of 4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine?
The InChIKey is UONJKTWWJCATBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClF2N2O/c1-2-20-6-11-18-9(5-10(15)19-11)12-8(16)4-3-7(14)13(12)17/h3-5H,2,6H2,1H3.
What are the key properties of 4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine?
4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine has a molecular weight of 363.59 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine is sourced from PubChem (CID 106943650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).