2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine

C116H158ClN31O13 — CID 160987086

IUPAC2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine
SMILESCCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CNc1cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)ncn1.COc1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.COc1nc(Cl)cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)n1.Cn1ccnc1NC(=O)C1CCC(Oc2cc(N)cc3nccnc23)CC1.N#Cc1ccnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)n1
InChIInChI=1S/C20H23N5O2.C19H21ClN6O2.C19H23N7O.C19H19N7O.C19H22N6O2.5C4H10O/c1-26-16-6-7-19(24-12-16)25-14-2-4-15(5-3-14)27-18-11-13(21)10-17-20(18)23-9-8-22-17;1-27-19-25-16(20)10-17(26-19)24-12-2-4-13(5-3-12)28-15-9-11(21)8-14-18(15)23-7-6-22-14;1-21-17-10-18(25-11-24-17)26-13-2-4-14(5-3-13)27-16-9-12(20)8-15-19(16)23-7-6-22-15;20-11-14-5-6-24-19(26-14)25-13-1-3-15(4-2-13)27-17-10-12(21)9-16-18(17)23-8-7-22-16;1-25-9-8-23-19(25)24-18(26)12-2-4-14(5-3-12)27-16-11-13(20)10-15-17(16)22-7-6-21-15;5*1-3-5-4-2/h6-12,14-15H,2-5,21H2,1H3,(H,24,25);6-10,12-13H,2-5,21H2,1H3,(H,24,25,26);6-11,13-14H,2-5,20H2,1H3,(H2,21,24,25,26);5-10,13,15H,1-4,21H2,(H,24,25,26);6-12,14H,2-5,20H2,1H3,(H,23,24,26);5*3-4H2,1-2H3
InChIKeyTUCRMLASORGHJU-UHFFFAOYSA-N
MW2230.20 g/mol
LogP20.14
Rot. Bonds33

About 2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine

2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine (PubChem CID 160987086) has the molecular formula C116H158ClN31O13 and a molecular weight of 2230.20 g/mol. Its IUPAC name is 2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine.

Molecular Properties

Compound Name2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine
PubChem CID160987086
Molecular FormulaC116H158ClN31O13
Molecular Weight2230.20 g/mol
Exact Mass2228.23
IUPAC Name2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine
SMILESCCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CNc1cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)ncn1.COc1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.COc1nc(Cl)cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)n1.Cn1ccnc1NC(=O)C1CCC(Oc2cc(N)cc3nccnc23)CC1.N#Cc1ccnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)n1
InChIInChI=1S/C20H23N5O2.C19H21ClN6O2.C19H23N7O.C19H19N7O.C19H22N6O2.5C4H10O/c1-26-16-6-7-19(24-12-16)25-14-2-4-15(5-3-14)27-18-11-13(21)10-17-20(18)23-9-8-22-17;1-27-19-25-16(20)10-17(26-19)24-12-2-4-13(5-3-12)28-15-9-11(21)8-14-18(15)23-7-6-22-14;1-21-17-10-18(25-11-24-17)26-13-2-4-14(5-3-13)27-16-9-12(20)8-15-19(16)23-7-6-22-15;20-11-14-5-6-24-19(26-14)25-13-1-3-15(4-2-13)27-17-10-12(21)9-16-18(17)23-8-7-22-16;1-25-9-8-23-19(25)24-18(26)12-2-4-14(5-3-12)27-16-11-13(20)10-15-17(16)22-7-6-21-15;5*1-3-5-4-2/h6-12,14-15H,2-5,21H2,1H3,(H,24,25);6-10,12-13H,2-5,21H2,1H3,(H,24,25,26);6-11,13-14H,2-5,20H2,1H3,(H2,21,24,25,26);5-10,13,15H,1-4,21H2,(H,24,25,26);6-12,14H,2-5,20H2,1H3,(H,23,24,26);5*3-4H2,1-2H3
InChIKeyTUCRMLASORGHJU-UHFFFAOYSA-N
XLogP20.14
TPSA590.85 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds33
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002230.20
LogP ≤ 520.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine?
The IUPAC name of 2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine (CID 160987086) is 2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine.
What is the SMILES notation for 2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine?
The canonical SMILES for 2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine is CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CNc1cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)ncn1.COc1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.COc1nc(Cl)cc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)n1.Cn1ccnc1NC(=O)C1CCC(Oc2cc(N)cc3nccnc23)CC1.N#Cc1ccnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)n1.
What is the InChIKey of 2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine?
The InChIKey is TUCRMLASORGHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.C19H21ClN6O2.C19H23N7O.C19H19N7O.C19H22N6O2.5C4H10O/c1-26-16-6-7-19(24-12-16)25-14-2-4-15(5-3-14)27-18-11-13(21)10-17-20(18)23-9-8-22-17;1-27-19-25-16(20)10-17(26-19)24-12-2-4-13(5-3-12)28-15-9-11(21)8-14-18(15)23-7-6-22-14;1-21-17-10-18(25-11-24-17)26-13-2-4-14(5-3-13)27-16-9-12(20)8-15-19(16)23-7-6-22-15;20-11-14-5-6-24-19(26-14)25-13-1-3-15(4-2-13)27-17-10-12(21)9-16-18(17)23-8-7-22-16;1-25-9-8-23-19(25)24-18(26)12-2-4-14(5-3-12)27-16-11-13(20)10-15-17(16)22-7-6-21-15;5*1-3-5-4-2/h6-12,14-15H,2-5,21H2,1H3,(H,24,25);6-10,12-13H,2-5,21H2,1H3,(H,24,25,26);6-11,13-14H,2-5,20H2,1H3,(H2,21,24,25,26);5-10,13,15H,1-4,21H2,(H,24,25,26);6-12,14H,2-5,20H2,1H3,(H,23,24,26);5*3-4H2,1-2H3.
What are the key properties of 2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine?
2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine has a molecular weight of 2230.20 g/mol, XLogP of 20.14, 33 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;4-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-6-N-methylpyrimidine-4,6-diamine;4-(7-aminoquinoxalin-5-yl)oxy-N-(1-methylimidazol-2-yl)cyclohexane-1-carboxamide;8-[4-[(6-chloro-2-methoxypyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine is sourced from PubChem (CID 160987086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).