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'}

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Related Compounds

4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine
CID 113401165
4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine
CID 116545984
5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784291
4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
CID 80945263
2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 114672189
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole
CID 103500895
4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
CID 80936304
4-(3-bromo-2,6-difluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136767104
4-but-3-yn-2-yloxy-6-chloro-2-(ethoxymethyl)pyrimidine
CID 106794787
N-(5-bromo-3-pyridinyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 114222602
4-chloro-2-(ethoxymethyl)-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine
CID 113401104

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).