5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H20ClF5N6O — CID 72963288

IUPAC5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC(C)C(F)(F)F)c(F)c1
InChIInChI=1S/C19H20ClF5N6O/c1-3-26-5-4-6-32-11-7-12(21)14(13(22)8-11)15-16(20)30-18-27-9-28-31(18)17(15)29-10(2)19(23,24)25/h7-10,26,29H,3-6H2,1-2H3
InChIKeyYTOAWZMMRBSRKF-UHFFFAOYSA-N
MW478.85 g/mol
LogP4.46
Rot. Bonds9

About 5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 72963288) has the molecular formula C19H20ClF5N6O and a molecular weight of 478.85 g/mol. Its IUPAC name is 5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID72963288
Molecular FormulaC19H20ClF5N6O
Molecular Weight478.85 g/mol
Exact Mass478.13
IUPAC Name5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC(C)C(F)(F)F)c(F)c1
InChIInChI=1S/C19H20ClF5N6O/c1-3-26-5-4-6-32-11-7-12(21)14(13(22)8-11)15-16(20)30-18-27-9-28-31(18)17(15)29-10(2)19(23,24)25/h7-10,26,29H,3-6H2,1-2H3
InChIKeyYTOAWZMMRBSRKF-UHFFFAOYSA-N
XLogP4.46
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.85
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 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 5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 72963288) is 5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC(C)C(F)(F)F)c(F)c1.
What is the InChIKey of 5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YTOAWZMMRBSRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF5N6O/c1-3-26-5-4-6-32-11-7-12(21)14(13(22)8-11)15-16(20)30-18-27-9-28-31(18)17(15)29-10(2)19(23,24)25/h7-10,26,29H,3-6H2,1-2H3.
What are the key properties of 5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 478.85 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 72963288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).