2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C10H13ClF3N3O — CID 107479167

IUPAC2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cc(Cl)nc(CN(CCO)CC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-7-4-8(11)16-9(15-7)5-17(2-3-18)6-10(12,13)14/h4,18H,2-3,5-6H2,1H3
InChIKeyHQLBPORKGKYOKA-UHFFFAOYSA-N
MW283.68 g/mol
LogP1.80
Rot. Bonds5

About 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107479167) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107479167
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cc(Cl)nc(CN(CCO)CC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-7-4-8(11)16-9(15-7)5-17(2-3-18)6-10(12,13)14/h4,18H,2-3,5-6H2,1H3
InChIKeyHQLBPORKGKYOKA-UHFFFAOYSA-N
XLogP1.80
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107479167) is 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is Cc1cc(Cl)nc(CN(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is HQLBPORKGKYOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-7-4-8(11)16-9(15-7)5-17(2-3-18)6-10(12,13)14/h4,18H,2-3,5-6H2,1H3.
What are the key properties of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 283.68 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107479167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).