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

C11H7BrF3N3 — CID 66339922

IUPAC5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1Nc1ncncc1Br
InChIInChI=1S/C11H7BrF3N3/c12-8-5-16-6-17-10(8)18-9-4-2-1-3-7(9)11(13,14)15/h1-6H,(H,16,17,18)
InChIKeyONSYLYRAYGUTCD-UHFFFAOYSA-N
MW318.10 g/mol
LogP4.00
Rot. Bonds2

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

5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 66339922) has the molecular formula C11H7BrF3N3 and a molecular weight of 318.10 g/mol. Its IUPAC name is 5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID66339922
Molecular FormulaC11H7BrF3N3
Molecular Weight318.10 g/mol
Exact Mass316.98
IUPAC Name5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1Nc1ncncc1Br
InChIInChI=1S/C11H7BrF3N3/c12-8-5-16-6-17-10(8)18-9-4-2-1-3-7(9)11(13,14)15/h1-6H,(H,16,17,18)
InChIKeyONSYLYRAYGUTCD-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.10
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545606
6-chloro-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477466
5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
CID 107603072
5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine
CID 66342168
N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 57096235
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545630
5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine
CID 79772541
6,7-dimethyl-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;dihydrate
CID 159074222
5-bromo-N-(2,6-dimethylphenyl)pyrimidin-4-amine
CID 66342196
5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80762862
6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 66339922) is 5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1ccccc1Nc1ncncc1Br.
What is the InChIKey of 5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ONSYLYRAYGUTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3/c12-8-5-16-6-17-10(8)18-9-4-2-1-3-7(9)11(13,14)15/h1-6H,(H,16,17,18).
What are the key properties of 5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 318.10 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 66339922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).