5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine

C75H91N23O6 — CID 158572861

IUPAC5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
SMILESC=Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CN1CCN(C)c2nc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)ncc21.Cn1nnnc1-c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C26H34N8O2.C25H29N9O2.C24H28N6O2/c1-32-9-10-33(2)25-22(32)17-29-26(31-25)30-18-3-5-20(6-4-18)36-23-16-19(34-11-13-35-14-12-34)15-21-24(23)28-8-7-27-21;1-33-25(30-31-32-33)17-2-7-23(28-16-17)29-18-3-5-20(6-4-18)36-22-15-19(34-10-12-35-13-11-34)14-21-24(22)27-9-8-26-21;1-2-17-15-27-24(28-16-17)29-18-3-5-20(6-4-18)32-22-14-19(30-9-11-31-12-10-30)13-21-23(22)26-8-7-25-21/h7-8,15-18,20H,3-6,9-14H2,1-2H3,(H,29,30,31);2,7-9,14-16,18,20H,3-6,10-13H2,1H3,(H,28,29);2,7-8,13-16,18,20H,1,3-6,9-12H2,(H,27,28,29)
InChIKeyHSHKRNSWHQJFFE-UHFFFAOYSA-N
MW1410.71 g/mol
LogP9.50
Rot. Bonds17

About 5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine

5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (PubChem CID 158572861) has the molecular formula C75H91N23O6 and a molecular weight of 1410.71 g/mol. Its IUPAC name is 5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
PubChem CID158572861
Molecular FormulaC75H91N23O6
Molecular Weight1410.71 g/mol
Exact Mass1409.75
IUPAC Name5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
SMILESC=Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CN1CCN(C)c2nc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)ncc21.Cn1nnnc1-c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C26H34N8O2.C25H29N9O2.C24H28N6O2/c1-32-9-10-33(2)25-22(32)17-29-26(31-25)30-18-3-5-20(6-4-18)36-23-16-19(34-11-13-35-14-12-34)15-21-24(23)28-8-7-27-21;1-33-25(30-31-32-33)17-2-7-23(28-16-17)29-18-3-5-20(6-4-18)36-22-15-19(34-10-12-35-13-11-34)14-21-24(22)27-9-8-26-21;1-2-17-15-27-24(28-16-17)29-18-3-5-20(6-4-18)32-22-14-19(30-9-11-31-12-10-30)13-21-23(22)26-8-7-25-21/h7-8,15-18,20H,3-6,9-14H2,1-2H3,(H,29,30,31);2,7-9,14-16,18,20H,3-6,10-13H2,1H3,(H,28,29);2,7-8,13-16,18,20H,1,3-6,9-12H2,(H,27,28,29)
InChIKeyHSHKRNSWHQJFFE-UHFFFAOYSA-N
XLogP9.50
TPSA293.06 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds17
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001410.71
LogP ≤ 59.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The IUPAC name of 5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (CID 158572861) is 5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.
What is the SMILES notation for 5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The canonical SMILES for 5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine is C=Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CN1CCN(C)c2nc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)ncc21.Cn1nnnc1-c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.
What is the InChIKey of 5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The InChIKey is HSHKRNSWHQJFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O2.C25H29N9O2.C24H28N6O2/c1-32-9-10-33(2)25-22(32)17-29-26(31-25)30-18-3-5-20(6-4-18)36-23-16-19(34-11-13-35-14-12-34)15-21-24(23)28-8-7-27-21;1-33-25(30-31-32-33)17-2-7-23(28-16-17)29-18-3-5-20(6-4-18)36-22-15-19(34-10-12-35-13-11-34)14-21-24(22)27-9-8-26-21;1-2-17-15-27-24(28-16-17)29-18-3-5-20(6-4-18)32-22-14-19(30-9-11-31-12-10-30)13-21-23(22)26-8-7-25-21/h7-8,15-18,20H,3-6,9-14H2,1-2H3,(H,29,30,31);2,7-9,14-16,18,20H,3-6,10-13H2,1H3,(H,28,29);2,7-8,13-16,18,20H,1,3-6,9-12H2,(H,27,28,29).
What are the key properties of 5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine has a molecular weight of 1410.71 g/mol, XLogP of 9.50, 17 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6,7-dihydropteridin-2-amine;5-ethenyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-(1-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine is sourced from PubChem (CID 158572861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).