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

C8H9ClF3N3O — CID 107484369

IUPAC2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1ncncc1Cl
InChIInChI=1S/C8H9ClF3N3O/c9-6-3-13-5-14-7(6)15(1-2-16)4-8(10,11)12/h3,5,16H,1-2,4H2
InChIKeyVSKMDELLRIDBAS-UHFFFAOYSA-N
MW255.63 g/mol
LogP1.49
Rot. Bonds4

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

2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484369) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484369
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1ncncc1Cl
InChIInChI=1S/C8H9ClF3N3O/c9-6-3-13-5-14-7(6)15(1-2-16)4-8(10,11)12/h3,5,16H,1-2,4H2
InChIKeyVSKMDELLRIDBAS-UHFFFAOYSA-N
XLogP1.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484495
2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484362
N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 105370054
2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107482177
4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide
CID 112755775
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107482198
2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 79631967
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136737805
2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484473
2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 66341302
2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 114056489

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484369) is 2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)c1ncncc1Cl.
What is the InChIKey of 2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VSKMDELLRIDBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/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-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 255.63 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).