2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C10H13ClF3N3O — CID 107482193

IUPAC2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1c(Cl)ncnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C10H13ClF3N3O/c1-2-7-8(11)15-6-16-9(7)17(3-4-18)5-10(12,13)14/h6,18H,2-5H2,1H3
InChIKeyPGQMJBJHMBXRRU-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.05
Rot. Bonds5

About 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107482193) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107482193
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1c(Cl)ncnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C10H13ClF3N3O/c1-2-7-8(11)15-6-16-9(7)17(3-4-18)5-10(12,13)14/h6,18H,2-5H2,1H3
InChIKeyPGQMJBJHMBXRRU-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107482193) is 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CCc1c(Cl)ncnc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is PGQMJBJHMBXRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-2-7-8(11)15-6-16-9(7)17(3-4-18)5-10(12,13)14/h6,18H,2-5H2,1H3.
What are the key properties of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 283.68 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107482193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).