6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine

C120H161F3N34O11 — CID 158222770

IUPAC6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine
SMILESCC(C)(O)c1cnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.Cc1cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc(C)n1.Cn1nnnc1-c1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.N#Cc1cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)ncn1.Nc1cc(OC2CCC(Nc3ccnc(C(F)(F)F)n3)CC2)c2nccnc2c1
InChIInChI=1S/C21H23N9O.C21H26N6O2.C20H24N6O.C19H19F3N6O.C19H19N7O.5C4H10O/c1-30-21(27-28-29-30)13-2-7-19(25-12-13)26-15-3-5-16(6-4-15)31-18-11-14(22)10-17-20(18)24-9-8-23-17;1-21(2,28)13-11-25-20(26-12-13)27-15-3-5-16(6-4-15)29-18-10-14(22)9-17-19(18)24-8-7-23-17;1-12-9-19(25-13(2)24-12)26-15-3-5-16(6-4-15)27-18-11-14(21)10-17-20(18)23-8-7-22-17;20-19(21,22)18-26-6-5-16(28-18)27-12-1-3-13(4-2-12)29-15-10-11(23)9-14-17(15)25-8-7-24-14;20-10-14-9-18(25-11-24-14)26-13-1-3-15(4-2-13)27-17-8-12(21)7-16-19(17)23-6-5-22-16;5*1-3-5-4-2/h2,7-12,15-16H,3-6,22H2,1H3,(H,25,26);7-12,15-16,28H,3-6,22H2,1-2H3,(H,25,26,27);7-11,15-16H,3-6,21H2,1-2H3,(H,24,25,26);5-10,12-13H,1-4,23H2,(H,26,27,28);5-9,11,13,15H,1-4,21H2,(H,24,25,26);5*3-4H2,1-2H3
InChIKeyGDLCRUIHRNDTDG-UHFFFAOYSA-N
MW2312.83 g/mol
LogP20.76
Rot. Bonds32

About 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine

6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine (PubChem CID 158222770) has the molecular formula C120H161F3N34O11 and a molecular weight of 2312.83 g/mol. Its IUPAC name is 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine.

Molecular Properties

Compound Name6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine
PubChem CID158222770
Molecular FormulaC120H161F3N34O11
Molecular Weight2312.83 g/mol
Exact Mass2311.30
IUPAC Name6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine
SMILESCC(C)(O)c1cnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.Cc1cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc(C)n1.Cn1nnnc1-c1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.N#Cc1cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)ncn1.Nc1cc(OC2CCC(Nc3ccnc(C(F)(F)F)n3)CC2)c2nccnc2c1
InChIInChI=1S/C21H23N9O.C21H26N6O2.C20H24N6O.C19H19F3N6O.C19H19N7O.5C4H10O/c1-30-21(27-28-29-30)13-2-7-19(25-12-13)26-15-3-5-16(6-4-15)31-18-11-14(22)10-17-20(18)24-9-8-23-17;1-21(2,28)13-11-25-20(26-12-13)27-15-3-5-16(6-4-15)29-18-10-14(22)9-17-19(18)24-8-7-23-17;1-12-9-19(25-13(2)24-12)26-15-3-5-16(6-4-15)27-18-11-14(21)10-17-20(18)23-8-7-22-17;20-19(21,22)18-26-6-5-16(28-18)27-12-1-3-13(4-2-12)29-15-10-11(23)9-14-17(15)25-8-7-24-14;20-10-14-9-18(25-11-24-14)26-13-1-3-15(4-2-13)27-17-8-12(21)7-16-19(17)23-6-5-22-16;5*1-3-5-4-2/h2,7-12,15-16H,3-6,22H2,1H3,(H,25,26);7-12,15-16,28H,3-6,22H2,1-2H3,(H,25,26,27);7-11,15-16H,3-6,21H2,1-2H3,(H,24,25,26);5-10,12-13H,1-4,23H2,(H,26,27,28);5-9,11,13,15H,1-4,21H2,(H,24,25,26);5*3-4H2,1-2H3
InChIKeyGDLCRUIHRNDTDG-UHFFFAOYSA-N
XLogP20.76
TPSA615.08 Ų
H-Bond Donors11
H-Bond Acceptors45
Rotatable Bonds32
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002312.83
LogP ≤ 520.76
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-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 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine?
The IUPAC name of 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine (CID 158222770) is 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine.
What is the SMILES notation for 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine?
The canonical SMILES for 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine is CC(C)(O)c1cnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.Cc1cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc(C)n1.Cn1nnnc1-c1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.N#Cc1cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)ncn1.Nc1cc(OC2CCC(Nc3ccnc(C(F)(F)F)n3)CC2)c2nccnc2c1.
What is the InChIKey of 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine?
The InChIKey is GDLCRUIHRNDTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O.C21H26N6O2.C20H24N6O.C19H19F3N6O.C19H19N7O.5C4H10O/c1-30-21(27-28-29-30)13-2-7-19(25-12-13)26-15-3-5-16(6-4-15)31-18-11-14(22)10-17-20(18)24-9-8-23-17;1-21(2,28)13-11-25-20(26-12-13)27-15-3-5-16(6-4-15)29-18-10-14(22)9-17-19(18)24-8-7-23-17;1-12-9-19(25-13(2)24-12)26-15-3-5-16(6-4-15)27-18-11-14(21)10-17-20(18)23-8-7-22-17;20-19(21,22)18-26-6-5-16(28-18)27-12-1-3-13(4-2-12)29-15-10-11(23)9-14-17(15)25-8-7-24-14;20-10-14-9-18(25-11-24-14)26-13-1-3-15(4-2-13)27-17-8-12(21)7-16-19(17)23-6-5-22-16;5*1-3-5-4-2/h2,7-12,15-16H,3-6,22H2,1H3,(H,25,26);7-12,15-16,28H,3-6,22H2,1-2H3,(H,25,26,27);7-11,15-16H,3-6,21H2,1-2H3,(H,24,25,26);5-10,12-13H,1-4,23H2,(H,26,27,28);5-9,11,13,15H,1-4,21H2,(H,24,25,26);5*3-4H2,1-2H3.
What are the key properties of 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine?
6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine has a molecular weight of 2312.83 g/mol, XLogP of 20.76, 32 rotatable bonds, 11 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;2-[2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;8-[4-[(2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[[5-(1-methyltetrazol-5-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-amine is sourced from PubChem (CID 158222770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).