6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine

C11H7BrF3N3O — CID 106774103

IUPAC6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Oc2cccc(Br)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF3N3O/c12-6-2-1-3-7(4-6)19-9-5-8(16)17-10(18-9)11(13,14)15/h1-5H,(H2,16,17,18)
InChIKeyGOCDVSXUCUJDGJ-UHFFFAOYSA-N
MW334.10 g/mol
LogP3.63
Rot. Bonds2

About 6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine

6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774103) has the molecular formula C11H7BrF3N3O and a molecular weight of 334.10 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774103
Molecular FormulaC11H7BrF3N3O
Molecular Weight334.10 g/mol
Exact Mass332.97
IUPAC Name6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Oc2cccc(Br)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF3N3O/c12-6-2-1-3-7(4-6)19-9-5-8(16)17-10(18-9)11(13,14)15/h1-5H,(H2,16,17,18)
InChIKeyGOCDVSXUCUJDGJ-UHFFFAOYSA-N
XLogP3.63
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.10
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107171778
6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107662740
6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773577
4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80915072
4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766711
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
2-bromo-6-(3-bromophenoxy)pyridine
CID 63962984
4-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771029
6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774078
6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine
CID 80966382
4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771045
6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 43262127

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774103) is 6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(Oc2cccc(Br)c2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GOCDVSXUCUJDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3O/c12-6-2-1-3-7(4-6)19-9-5-8(16)17-10(18-9)11(13,14)15/h1-5H,(H2,16,17,18).
What are the key properties of 6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 334.10 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).