5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C12H9BrF3N3 — CID 66301823

IUPAC5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESNc1nc(Cc2cccc(C(F)(F)F)c2)ncc1Br
InChIInChI=1S/C12H9BrF3N3/c13-9-6-18-10(19-11(9)17)5-7-2-1-3-8(4-7)12(14,15)16/h1-4,6H,5H2,(H2,17,18,19)
InChIKeyZXIIOXWINLELQC-UHFFFAOYSA-N
MW332.12 g/mol
LogP3.43
Rot. Bonds2

About 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 66301823) has the molecular formula C12H9BrF3N3 and a molecular weight of 332.12 g/mol. Its IUPAC name is 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID66301823
Molecular FormulaC12H9BrF3N3
Molecular Weight332.12 g/mol
Exact Mass330.99
IUPAC Name5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESNc1nc(Cc2cccc(C(F)(F)F)c2)ncc1Br
InChIInChI=1S/C12H9BrF3N3/c13-9-6-18-10(19-11(9)17)5-7-2-1-3-8(4-7)12(14,15)16/h1-4,6H,5H2,(H2,17,18,19)
InChIKeyZXIIOXWINLELQC-UHFFFAOYSA-N
XLogP3.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270
5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66303664
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66292577
2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 12056714
4-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole
CID 67188787
3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-6-amine
CID 117139496
4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 103009232

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 66301823) is 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is Nc1nc(Cc2cccc(C(F)(F)F)c2)ncc1Br.
What is the InChIKey of 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is ZXIIOXWINLELQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N3/c13-9-6-18-10(19-11(9)17)5-7-2-1-3-8(4-7)12(14,15)16/h1-4,6H,5H2,(H2,17,18,19).
What are the key properties of 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 332.12 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 66301823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).