5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine

C9H11BrF3N3 — CID 115486607

IUPAC5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
SMILESFC(F)(F)CCCCNc1ncncc1Br
InChIInChI=1S/C9H11BrF3N3/c10-7-5-14-6-16-8(7)15-4-2-1-3-9(11,12)13/h5-6H,1-4H2,(H,14,15,16)
InChIKeyCCCPQBIFECANIM-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.38
Rot. Bonds5

About 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine

5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine (PubChem CID 115486607) 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-4-amine.

Molecular Properties

Compound Name5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
PubChem CID115486607
Molecular FormulaC9H11BrF3N3
Molecular Weight298.11 g/mol
Exact Mass297.01
IUPAC Name5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
SMILESFC(F)(F)CCCCNc1ncncc1Br
InChIInChI=1S/C9H11BrF3N3/c10-7-5-14-6-16-8(7)15-4-2-1-3-9(11,12)13/h5-6H,1-4H2,(H,14,15,16)
InChIKeyCCCPQBIFECANIM-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-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 105369555
N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 66342800
5-[(5-bromopyrimidin-4-yl)amino]pentanamide
CID 103915031
N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 66342316
5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 66343219
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
CID 115486549
5-bromo-N-[3-(2-chloroethoxy)propyl]pyrimidin-4-amine
CID 106306461
2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide
CID 66340107
5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
CID 103766959
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208
5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine
CID 66340987
N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine
CID 106142190

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine (CID 115486607) is 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine is FC(F)(F)CCCCNc1ncncc1Br.
What is the InChIKey of 5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine?
The InChIKey is CCCPQBIFECANIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3N3/c10-7-5-14-6-16-8(7)15-4-2-1-3-9(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-4-amine?
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-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-4-amine is sourced from PubChem (CID 115486607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).