5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine

C13H11BrF3N3O — CID 80864968

IUPAC5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H11BrF3N3O/c1-2-18-12-19-7-9(14)11(20-12)21-10-6-4-3-5-8(10)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyNCQBQURAGLKCJR-UHFFFAOYSA-N
MW362.15 g/mol
LogP4.48
Rot. Bonds4

About 5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine

5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine (PubChem CID 80864968) has the molecular formula C13H11BrF3N3O and a molecular weight of 362.15 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
PubChem CID80864968
Molecular FormulaC13H11BrF3N3O
Molecular Weight362.15 g/mol
Exact Mass361.00
IUPAC Name5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H11BrF3N3O/c1-2-18-12-19-7-9(14)11(20-12)21-10-6-4-3-5-8(10)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyNCQBQURAGLKCJR-UHFFFAOYSA-N
XLogP4.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80863242
5-bromo-N-ethyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875914
5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80862637
5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80881149
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985
5-bromo-4-N-(2-tert-butylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80822328
5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine
CID 80862412
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107710279
5-bromo-2-N-ethyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80769855

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine (CID 80864968) is 5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine is CCNc1ncc(Br)c(Oc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The InChIKey is NCQBQURAGLKCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3O/c1-2-18-12-19-7-9(14)11(20-12)21-10-6-4-3-5-8(10)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20).
What are the key properties of 5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine has a molecular weight of 362.15 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine is sourced from PubChem (CID 80864968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).