5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

C12H9BrF3N3 — CID 63871875

IUPAC5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(CNc2ncc(Br)cn2)c1
InChIInChI=1S/C12H9BrF3N3/c13-10-6-18-11(19-7-10)17-5-8-2-1-3-9(4-8)12(14,15)16/h1-4,6-7H,5H2,(H,17,18,19)
InChIKeySLXBRVLMJYGADO-UHFFFAOYSA-N
MW332.12 g/mol
LogP3.87
Rot. Bonds3

About 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 63871875) has the molecular formula C12H9BrF3N3 and a molecular weight of 332.12 g/mol. Its IUPAC name is 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID63871875
Molecular FormulaC12H9BrF3N3
Molecular Weight332.12 g/mol
Exact Mass330.99
IUPAC Name5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(CNc2ncc(Br)cn2)c1
InChIInChI=1S/C12H9BrF3N3/c13-10-6-18-11(19-7-10)17-5-8-2-1-3-9(4-8)12(14,15)16/h1-4,6-7H,5H2,(H,17,18,19)
InChIKeySLXBRVLMJYGADO-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]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

3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol
CID 166230475
5-(2-methylsulfanylethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 71738710
4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 29016762
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737
6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine
CID 130335345
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80771252
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone
CID 154938773
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (CID 63871875) is 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is FC(F)(F)c1cccc(CNc2ncc(Br)cn2)c1.
What is the InChIKey of 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is SLXBRVLMJYGADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N3/c13-10-6-18-11(19-7-10)17-5-8-2-1-3-9(4-8)12(14,15)16/h1-4,6-7H,5H2,(H,17,18,19).
What are the key properties of 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 332.12 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 63871875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).