5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine

C9H11BrF3N3 — CID 115486549

IUPAC5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
SMILESFC(F)(F)CCCCNc1ncc(Br)cn1
InChIInChI=1S/C9H11BrF3N3/c10-7-5-15-8(16-6-7)14-4-2-1-3-9(11,12)13/h5-6H,1-4H2,(H,14,15,16)
InChIKeyQXAOYVOGJQDMDT-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.38
Rot. Bonds5

About 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine

5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine (PubChem CID 115486549) has the molecular formula C9H11BrF3N3 and a molecular weight of 298.11 g/mol. Its IUPAC name is 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
PubChem CID115486549
Molecular FormulaC9H11BrF3N3
Molecular Weight298.11 g/mol
Exact Mass297.01
IUPAC Name5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
SMILESFC(F)(F)CCCCNc1ncc(Br)cn1
InChIInChI=1S/C9H11BrF3N3/c10-7-5-15-8(16-6-7)14-4-2-1-3-9(11,12)13/h5-6H,1-4H2,(H,14,15,16)
InChIKeyQXAOYVOGJQDMDT-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-iodo-N-(4,4,4-trifluorobutyl)pyrimidin-2-amine
CID 104844015
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-2-amine
CID 79566523
N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine
CID 107844829
6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol
CID 103918084
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
CID 115486607
5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine
CID 126993043
5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
CID 107269196
2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine
CID 115523020
tert-butyl N-[3-[(5-bromopyrimidin-2-yl)amino]propyl]carbamate
CID 115619288
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226685
5-bromo-2-(10,10,10-trifluorodecyl)pyridine
CID 151052015
5-bromo-2-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 107286470

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine (CID 115486549) is 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine is FC(F)(F)CCCCNc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
The InChIKey is QXAOYVOGJQDMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3N3/c10-7-5-15-8(16-6-7)14-4-2-1-3-9(11,12)13/h5-6H,1-4H2,(H,14,15,16).
What are the key properties of 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine has a molecular weight of 298.11 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine is sourced from PubChem (CID 115486549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).