8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine

C18H18ClFN6O — CID 156673091

IUPAC8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine
SMILESNc1cc(OC2CCC(Nc3ncnc(Cl)c3F)CC2)c2nccnc2c1
InChIInChI=1S/C18H18ClFN6O/c19-17-15(20)18(25-9-24-17)26-11-1-3-12(4-2-11)27-14-8-10(21)7-13-16(14)23-6-5-22-13/h5-9,11-12H,1-4,21H2,(H,24,25,26)
InChIKeyLEMIFEHSZDRFLI-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.60
Rot. Bonds4

About 8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine

8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine (PubChem CID 156673091) has the molecular formula C18H18ClFN6O and a molecular weight of 388.83 g/mol. Its IUPAC name is 8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine.

Molecular Properties

Compound Name8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine
PubChem CID156673091
Molecular FormulaC18H18ClFN6O
Molecular Weight388.83 g/mol
Exact Mass388.12
IUPAC Name8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine
SMILESNc1cc(OC2CCC(Nc3ncnc(Cl)c3F)CC2)c2nccnc2c1
InChIInChI=1S/C18H18ClFN6O/c19-17-15(20)18(25-9-24-17)26-11-1-3-12(4-2-11)27-14-8-10(21)7-13-16(14)23-6-5-22-13/h5-9,11-12H,1-4,21H2,(H,24,25,26)
InChIKeyLEMIFEHSZDRFLI-UHFFFAOYSA-N
XLogP3.60
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-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 8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine?
The IUPAC name of 8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine (CID 156673091) is 8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine.
What is the SMILES notation for 8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine?
The canonical SMILES for 8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine is Nc1cc(OC2CCC(Nc3ncnc(Cl)c3F)CC2)c2nccnc2c1.
What is the InChIKey of 8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine?
The InChIKey is LEMIFEHSZDRFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN6O/c19-17-15(20)18(25-9-24-17)26-11-1-3-12(4-2-11)27-14-8-10(21)7-13-16(14)23-6-5-22-13/h5-9,11-12H,1-4,21H2,(H,24,25,26).
What are the key properties of 8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine?
8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine has a molecular weight of 388.83 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine is sourced from PubChem (CID 156673091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).