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

C5H3BrF3N3 — CID 71721371

IUPAC5-bromo-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(C(F)(F)F)ncc1Br
InChIInChI=1S/C5H3BrF3N3/c6-2-1-11-4(5(7,8)9)12-3(2)10/h1H,(H2,10,11,12)
InChIKeyDZWBVYLQAPRBOZ-UHFFFAOYSA-N
MW242.00 g/mol
LogP1.84
Rot. Bonds

About 5-bromo-2-(trifluoromethyl)pyrimidin-4-amine

5-bromo-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 71721371) has the molecular formula C5H3BrF3N3 and a molecular weight of 242.00 g/mol. Its IUPAC name is 5-bromo-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID71721371
Molecular FormulaC5H3BrF3N3
Molecular Weight242.00 g/mol
Exact Mass240.95
IUPAC Name5-bromo-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(C(F)(F)F)ncc1Br
InChIInChI=1S/C5H3BrF3N3/c6-2-1-11-4(5(7,8)9)12-3(2)10/h1H,(H2,10,11,12)
InChIKeyDZWBVYLQAPRBOZ-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

Analyze 5-bromo-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(trifluoromethyl)pyrimidin-4-amine (CID 71721371) is 5-bromo-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(trifluoromethyl)pyrimidin-4-amine is Nc1nc(C(F)(F)F)ncc1Br.
What is the InChIKey of 5-bromo-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DZWBVYLQAPRBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3N3/c6-2-1-11-4(5(7,8)9)12-3(2)10/h1H,(H2,10,11,12).
What are the key properties of 5-bromo-2-(trifluoromethyl)pyrimidin-4-amine?
5-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 5-bromo-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 71721371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).