6-bromo-2-(trifluoromethyl)pyrimidin-4-amine

C5H3BrF3N3 — CID 73012894

IUPAC6-bromo-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Br)nc(C(F)(F)F)n1
InChIInChI=1S/C5H3BrF3N3/c6-2-1-3(10)12-4(11-2)5(7,8)9/h1H,(H2,10,11,12)
InChIKeyZTGDYALJMNYCDG-UHFFFAOYSA-N
MW242.00 g/mol
LogP1.84
Rot. Bonds

About 6-bromo-2-(trifluoromethyl)pyrimidin-4-amine

6-bromo-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 73012894) has the molecular formula C5H3BrF3N3 and a molecular weight of 242.00 g/mol. Its IUPAC name is 6-bromo-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID73012894
Molecular FormulaC5H3BrF3N3
Molecular Weight242.00 g/mol
Exact Mass240.95
IUPAC Name6-bromo-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Br)nc(C(F)(F)F)n1
InChIInChI=1S/C5H3BrF3N3/c6-2-1-3(10)12-4(11-2)5(7,8)9/h1H,(H2,10,11,12)
InChIKeyZTGDYALJMNYCDG-UHFFFAOYSA-N
XLogP1.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.00
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(trifluoromethyl)pyrimidin-4-amine (CID 73012894) is 6-bromo-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(Br)nc(C(F)(F)F)n1.
What is the InChIKey of 6-bromo-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZTGDYALJMNYCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3N3/c6-2-1-3(10)12-4(11-2)5(7,8)9/h1H,(H2,10,11,12).
What are the key properties of 6-bromo-2-(trifluoromethyl)pyrimidin-4-amine?
6-bromo-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 242.00 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 73012894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).