2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol

C10H14ClF3N4O2 — CID 111464677

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
SMILESNc1nc(Cl)cc(N(CCO)CCOCC(F)(F)F)n1
InChIInChI=1S/C10H14ClF3N4O2/c11-7-5-8(17-9(15)16-7)18(1-3-19)2-4-20-6-10(12,13)14/h5,19H,1-4,6H2,(H2,15,16,17)
InChIKeyLIZMJWWELWKBIH-UHFFFAOYSA-N
MW314.70 g/mol
LogP1.09
Rot. Bonds7

About 2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol

2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol (PubChem CID 111464677) has the molecular formula C10H14ClF3N4O2 and a molecular weight of 314.70 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
PubChem CID111464677
Molecular FormulaC10H14ClF3N4O2
Molecular Weight314.70 g/mol
Exact Mass314.08
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
SMILESNc1nc(Cl)cc(N(CCO)CCOCC(F)(F)F)n1
InChIInChI=1S/C10H14ClF3N4O2/c11-7-5-8(17-9(15)16-7)18(1-3-19)2-4-20-6-10(12,13)14/h5,19H,1-4,6H2,(H2,15,16,17)
InChIKeyLIZMJWWELWKBIH-UHFFFAOYSA-N
XLogP1.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.70
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol (CID 111464677) is 2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol is Nc1nc(Cl)cc(N(CCO)CCOCC(F)(F)F)n1.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol?
The InChIKey is LIZMJWWELWKBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N4O2/c11-7-5-8(17-9(15)16-7)18(1-3-19)2-4-20-6-10(12,13)14/h5,19H,1-4,6H2,(H2,15,16,17).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol?
2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol has a molecular weight of 314.70 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol is sourced from PubChem (CID 111464677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).