4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine

C12H10BrClN2O — CID 107723121

IUPAC4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine
SMILESCc1cc(Oc2cc(Cl)ncn2)cc(C)c1Br
InChIInChI=1S/C12H10BrClN2O/c1-7-3-9(4-8(2)12(7)13)17-11-5-10(14)15-6-16-11/h3-6H,1-2H3
InChIKeyXTWPCCFOPNMPFX-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.30
Rot. Bonds2

About 4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine

4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine (PubChem CID 107723121) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine
PubChem CID107723121
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine
SMILESCc1cc(Oc2cc(Cl)ncn2)cc(C)c1Br
InChIInChI=1S/C12H10BrClN2O/c1-7-3-9(4-8(2)12(7)13)17-11-5-10(14)15-6-16-11/h3-6H,1-2H3
InChIKeyXTWPCCFOPNMPFX-UHFFFAOYSA-N
XLogP4.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,5-dimethylphenoxy)pyrimidine
CID 22425300
4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline
CID 118136234
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 107727323
6-(6-chloropyrimidin-4-yl)oxy-4-methyl-3H-1,3-benzothiazol-2-one
CID 86663925
4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine
CID 60726025
4-chloro-6-(2,5-dimethylphenoxy)pyrimidine
CID 60706529
4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
CID 60726049
4-chloro-6-(3-ethoxyphenoxy)pyrimidine
CID 55061243
4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
CID 107723178
6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole
CID 86663926
1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol
CID 107724992
(1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol
CID 107724994

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine?
The IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine (CID 107723121) is 4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine is Cc1cc(Oc2cc(Cl)ncn2)cc(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine?
The InChIKey is XTWPCCFOPNMPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-7-3-9(4-8(2)12(7)13)17-11-5-10(14)15-6-16-11/h3-6H,1-2H3.
What are the key properties of 4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine?
4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine has a molecular weight of 313.58 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine is sourced from PubChem (CID 107723121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).