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

C12H9BrF3N3O — CID 171705268

IUPAC5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)Oc1ccccc1CNc1ncc(Br)cn1
InChIInChI=1S/C12H9BrF3N3O/c13-9-6-18-11(19-7-9)17-5-8-3-1-2-4-10(8)20-12(14,15)16/h1-4,6-7H,5H2,(H,17,18,19)
InChIKeyJWFGATKJGGSSKQ-UHFFFAOYSA-N
MW348.12 g/mol
LogP3.75
Rot. Bonds4

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

5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine (PubChem CID 171705268) has the molecular formula C12H9BrF3N3O and a molecular weight of 348.12 g/mol. Its IUPAC name is 5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
PubChem CID171705268
Molecular FormulaC12H9BrF3N3O
Molecular Weight348.12 g/mol
Exact Mass346.99
IUPAC Name5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)Oc1ccccc1CNc1ncc(Br)cn1
InChIInChI=1S/C12H9BrF3N3O/c13-9-6-18-11(19-7-9)17-5-8-3-1-2-4-10(8)20-12(14,15)16/h1-4,6-7H,5H2,(H,17,18,19)
InChIKeyJWFGATKJGGSSKQ-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[[2-(trifluoromethoxy)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

1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 133370814
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
N-[(2-bromophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29294059
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 63329883
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
CID 66352968
1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 28664405
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 63454704
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine (CID 171705268) is 5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine is FC(F)(F)Oc1ccccc1CNc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is JWFGATKJGGSSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N3O/c13-9-6-18-11(19-7-9)17-5-8-3-1-2-4-10(8)20-12(14,15)16/h1-4,6-7H,5H2,(H,17,18,19).
What are the key properties of 5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 348.12 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 171705268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).