4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine

C12H7BrClF3N2O — CID 114562091

IUPAC4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(Br)ccc1Oc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H7BrClF3N2O/c1-6-4-7(13)2-3-8(6)20-10-5-9(12(15,16)17)18-11(14)19-10/h2-5H,1H3
InChIKeyGGIVKHVDNZUSLX-UHFFFAOYSA-N
MW367.55 g/mol
LogP5.01
Rot. Bonds2

About 4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine

4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine (PubChem CID 114562091) has the molecular formula C12H7BrClF3N2O and a molecular weight of 367.55 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine
PubChem CID114562091
Molecular FormulaC12H7BrClF3N2O
Molecular Weight367.55 g/mol
Exact Mass365.94
IUPAC Name4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(Br)ccc1Oc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H7BrClF3N2O/c1-6-4-7(13)2-3-8(6)20-10-5-9(12(15,16)17)18-11(14)19-10/h2-5H,1H3
InChIKeyGGIVKHVDNZUSLX-UHFFFAOYSA-N
XLogP5.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.55
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Bromophenoxy)-4,6-dimethylpyrimidine
CID 734495
4-(Benzyloxy)-2-chloro-6-methylpyrimidine
CID 62476761
2-(4-Bromophenyl)-4-methyl-6-phenoxypyrimidine
CID 824576
2-[(5-Bromo-2-methoxyphenyl)methyl]-4-chloro-6-methylpyrimidine
CID 745119
4-(4-Bromophenoxy)-6-methylpyrimidin-2-amine
CID 24248957
6-Methyl-2-[2-(trifluoromethyl)phenoxy]pyrimidine-4-carbonitrile
CID 19084608
2-Chloro-4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)pyrimidine
CID 58974962
N-(4-bromophenyl)-4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)pyrimidin-2-amine
CID 58974974
2-Chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 62476947
2-Chloro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 62477448
2-Chloro-4-(3,4-difluorophenoxy)-6-methylpyrimidine
CID 62477614
2-Chloro-4-phenylmethoxy-6-(trifluoromethyl)pyrimidine
CID 85958205

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine (CID 114562091) is 4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine is Cc1cc(Br)ccc1Oc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine?
The InChIKey is GGIVKHVDNZUSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2O/c1-6-4-7(13)2-3-8(6)20-10-5-9(12(15,16)17)18-11(14)19-10/h2-5H,1H3.
What are the key properties of 4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine?
4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine has a molecular weight of 367.55 g/mol, XLogP of 5.01, 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-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).