2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C8H9BrF3N3O — CID 107484495

IUPAC2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1ncncc1Br
InChIInChI=1S/C8H9BrF3N3O/c9-6-3-13-5-14-7(6)15(1-2-16)4-8(10,11)12/h3,5,16H,1-2,4H2
InChIKeyKEUYPAMQUVCQIK-UHFFFAOYSA-N
MW300.08 g/mol
LogP1.60
Rot. Bonds4

About 2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484495) has the molecular formula C8H9BrF3N3O and a molecular weight of 300.08 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484495
Molecular FormulaC8H9BrF3N3O
Molecular Weight300.08 g/mol
Exact Mass298.99
IUPAC Name2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1ncncc1Br
InChIInChI=1S/C8H9BrF3N3O/c9-6-3-13-5-14-7(6)15(1-2-16)4-8(10,11)12/h3,5,16H,1-2,4H2
InChIKeyKEUYPAMQUVCQIK-UHFFFAOYSA-N
XLogP1.60
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484369
2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 66341302
2-[(5-bromopyrimidin-4-yl)-prop-2-enylamino]ethanol
CID 115715080
2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484362
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495355
4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide
CID 112755775
5-bromo-N-(2-chloroethyl)-N-ethylpyrimidin-4-amine
CID 66320500
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164
5-bromo-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80814938
3-bromo-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzaldehyde
CID 114062253
3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 79534722
3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490411

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484495) is 2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)c1ncncc1Br.
What is the InChIKey of 2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is KEUYPAMQUVCQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3N3O/c9-6-3-13-5-14-7(6)15(1-2-16)4-8(10,11)12/h3,5,16H,1-2,4H2.
What are the key properties of 2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 300.08 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).