4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine

C11H6BrCl3N2O — CID 107657822

IUPAC4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Oc2cc(Cl)c(Br)cc2Cl)n1
InChIInChI=1S/C11H6BrCl3N2O/c1-5-16-10(15)4-11(17-5)18-9-3-7(13)6(12)2-8(9)14/h2-4H,1H3
InChIKeyQWCXVYUIYIHGQU-UHFFFAOYSA-N
MW368.45 g/mol
LogP5.30
Rot. Bonds2

About 4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine

4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine (PubChem CID 107657822) has the molecular formula C11H6BrCl3N2O and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine
PubChem CID107657822
Molecular FormulaC11H6BrCl3N2O
Molecular Weight368.45 g/mol
Exact Mass365.87
IUPAC Name4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Oc2cc(Cl)c(Br)cc2Cl)n1
InChIInChI=1S/C11H6BrCl3N2O/c1-5-16-10(15)4-11(17-5)18-9-3-7(13)6(12)2-8(9)14/h2-4H,1H3
InChIKeyQWCXVYUIYIHGQU-UHFFFAOYSA-N
XLogP5.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.45
LogP ≤ 55.30
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

2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80862541
2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine
CID 107655311
6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 107662690
4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
CID 62481702
2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine
CID 107660062
4-chloro-2-methyl-6-naphthalen-1-yloxypyrimidine
CID 62482714
4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline
CID 107657835
2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 107656699
2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide
CID 88853958
1-bromo-2,5-dichloro-4-[2-(chloromethyl)-4-methylphenoxy]benzene
CID 114054842
1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine
CID 107658732
1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol
CID 107659083

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine?
The IUPAC name of 4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine (CID 107657822) is 4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine.
What is the SMILES notation for 4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine?
The canonical SMILES for 4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine is Cc1nc(Cl)cc(Oc2cc(Cl)c(Br)cc2Cl)n1.
What is the InChIKey of 4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine?
The InChIKey is QWCXVYUIYIHGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl3N2O/c1-5-16-10(15)4-11(17-5)18-9-3-7(13)6(12)2-8(9)14/h2-4H,1H3.
What are the key properties of 4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine?
4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine has a molecular weight of 368.45 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine is sourced from PubChem (CID 107657822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).