5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine

C101H124N26O13 — CID 157071655

IUPAC5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
SMILESCCOCCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CCOc1nccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.Cc1noc(-c2ccc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)n1.O=C(NCCO)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C26H29N7O3.C26H34N6O3.C25H31N7O4.C24H30N6O3/c1-17-30-26(36-32-17)18-2-7-24(29-16-18)31-19-3-5-21(6-4-19)35-23-15-20(33-10-12-34-13-11-33)14-22-25(23)28-9-8-27-22;1-2-33-12-7-19-17-29-26(30-18-19)31-20-3-5-22(6-4-20)35-24-16-21(32-10-13-34-14-11-32)15-23-25(24)28-9-8-27-23;33-10-7-28-24(34)17-15-29-25(30-16-17)31-18-1-3-20(4-2-18)36-22-14-19(32-8-11-35-12-9-32)13-21-23(22)27-6-5-26-21;1-2-32-24-27-8-7-22(29-24)28-17-3-5-19(6-4-17)33-21-16-18(30-11-13-31-14-12-30)15-20-23(21)26-10-9-25-20/h2,7-9,14-16,19,21H,3-6,10-13H2,1H3,(H,29,31);8-9,15-18,20,22H,2-7,10-14H2,1H3,(H,29,30,31);5-6,13-16,18,20,33H,1-4,7-12H2,(H,28,34)(H,29,30,31);7-10,15-17,19H,2-6,11-14H2,1H3,(H,27,28,29)
InChIKeyACMSKSLTZUMBHE-UHFFFAOYSA-N
MW1910.27 g/mol
LogP12.90
Rot. Bonds30

About 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine

5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (PubChem CID 157071655) has the molecular formula C101H124N26O13 and a molecular weight of 1910.27 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
PubChem CID157071655
Molecular FormulaC101H124N26O13
Molecular Weight1910.27 g/mol
Exact Mass1908.98
IUPAC Name5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
SMILESCCOCCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CCOc1nccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.Cc1noc(-c2ccc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)n1.O=C(NCCO)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C26H29N7O3.C26H34N6O3.C25H31N7O4.C24H30N6O3/c1-17-30-26(36-32-17)18-2-7-24(29-16-18)31-19-3-5-21(6-4-19)35-23-15-20(33-10-12-34-13-11-33)14-22-25(23)28-9-8-27-22;1-2-33-12-7-19-17-29-26(30-18-19)31-20-3-5-22(6-4-20)35-24-16-21(32-10-13-34-14-11-32)15-23-25(24)28-9-8-27-23;33-10-7-28-24(34)17-15-29-25(30-16-17)31-18-1-3-20(4-2-18)36-22-14-19(32-8-11-35-12-9-32)13-21-23(22)27-6-5-26-21;1-2-32-24-27-8-7-22(29-24)28-17-3-5-19(6-4-17)33-21-16-18(30-11-13-31-14-12-30)15-20-23(21)26-10-9-25-20/h2,7-9,14-16,19,21H,3-6,10-13H2,1H3,(H,29,31);8-9,15-18,20,22H,2-7,10-14H2,1H3,(H,29,30,31);5-6,13-16,18,20,33H,1-4,7-12H2,(H,28,34)(H,29,30,31);7-10,15-17,19H,2-6,11-14H2,1H3,(H,27,28,29)
InChIKeyACMSKSLTZUMBHE-UHFFFAOYSA-N
XLogP12.90
TPSA434.98 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001910.27
LogP ≤ 512.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The IUPAC name of 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (CID 157071655) is 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.
What is the SMILES notation for 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The canonical SMILES for 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine is CCOCCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CCOc1nccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.Cc1noc(-c2ccc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)n1.O=C(NCCO)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.
What is the InChIKey of 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The InChIKey is ACMSKSLTZUMBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3.C26H34N6O3.C25H31N7O4.C24H30N6O3/c1-17-30-26(36-32-17)18-2-7-24(29-16-18)31-19-3-5-21(6-4-19)35-23-15-20(33-10-12-34-13-11-33)14-22-25(23)28-9-8-27-22;1-2-33-12-7-19-17-29-26(30-18-19)31-20-3-5-22(6-4-20)35-24-16-21(32-10-13-34-14-11-32)15-23-25(24)28-9-8-27-23;33-10-7-28-24(34)17-15-29-25(30-16-17)31-18-1-3-20(4-2-18)36-22-14-19(32-8-11-35-12-9-32)13-21-23(22)27-6-5-26-21;1-2-32-24-27-8-7-22(29-24)28-17-3-5-19(6-4-17)33-21-16-18(30-11-13-31-14-12-30)15-20-23(21)26-10-9-25-20/h2,7-9,14-16,19,21H,3-6,10-13H2,1H3,(H,29,31);8-9,15-18,20,22H,2-7,10-14H2,1H3,(H,29,30,31);5-6,13-16,18,20,33H,1-4,7-12H2,(H,28,34)(H,29,30,31);7-10,15-17,19H,2-6,11-14H2,1H3,(H,27,28,29).
What are the key properties of 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine has a molecular weight of 1910.27 g/mol, XLogP of 12.90, 30 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine is sourced from PubChem (CID 157071655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).