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

C5H3BrF3N3 — CID 45382152

IUPAC5-bromo-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C5H3BrF3N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12)
InChIKeyFAMGPURZLOTOKD-UHFFFAOYSA-N
MW242.00 g/mol
LogP1.84
Rot. Bonds

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

5-bromo-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 45382152) has the molecular formula C5H3BrF3N3 and a molecular weight of 242.00 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID45382152
Molecular FormulaC5H3BrF3N3
Molecular Weight242.00 g/mol
Exact Mass240.95
IUPAC Name5-bromo-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C5H3BrF3N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12)
InChIKeyFAMGPURZLOTOKD-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-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
5-Bromo-4-methylpyrimidin-2-amine
CID 18616196
4-Bromo-6-(trifluoromethyl)pyrimidine
CID 11264639
5-Bromo-2-chloro-4-(trifluoromethyl)pyrimidine
CID 11425490
2-Bromo-4-(trifluoromethyl)pyrimidine
CID 11436086
5-Bromo-4-methylpyrimidine
CID 12461863
5-Bromo-2,4-dimethylpyrimidine
CID 12490579
5-Bromo-4-(trifluoromethyl)pyrimidine
CID 11160494
4-(Trifluoromethyl)pyrimidine
CID 15074799
5-Bromopyrimidine-4-carbonitrile
CID 13860987
5-Bromo-2-chloro-4-methylpyrimidine
CID 20600736
5-Bromo-4-methyl-2-(trifluoromethyl)pyrimidine
CID 68841653

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(trifluoromethyl)pyrimidin-2-amine (CID 45382152) is 5-bromo-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(Br)c(C(F)(F)F)n1.
What is the InChIKey of 5-bromo-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FAMGPURZLOTOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12).
What are the key properties of 5-bromo-4-(trifluoromethyl)pyrimidin-2-amine?
5-bromo-4-(trifluoromethyl)pyrimidin-2-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-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 45382152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).