4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C116H134F5N31O12 — CID 160698397

IUPAC4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Oc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Cc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.Fc1cc(F)nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.N#Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C25H32N6O3.C23H25F3N6O3.C23H25N7O2.C23H28N6O2.C22H24F2N6O2/c1-17(2)33-21-15-28-25(29-16-21)30-18-3-5-20(6-4-18)34-23-14-19(31-9-11-32-12-10-31)13-22-24(23)27-8-7-26-22;24-23(25,26)20-13-18(30-31-20)22(33)29-14-1-3-16(4-2-14)35-19-12-15(32-7-9-34-10-8-32)11-17-21(19)28-6-5-27-17;24-13-17-14-28-22(15-27-17)29-16-1-3-19(4-2-16)32-21-12-18(30-7-9-31-10-8-30)11-20-23(21)26-6-5-25-20;1-16-6-7-26-23(27-16)28-17-2-4-19(5-3-17)31-21-15-18(29-10-12-30-13-11-29)14-20-22(21)25-9-8-24-20;23-19-13-20(24)29-22(28-19)27-14-1-3-16(4-2-14)32-18-12-15(30-7-9-31-10-8-30)11-17-21(18)26-6-5-25-17/h7-8,13-18,20H,3-6,9-12H2,1-2H3,(H,28,29,30);5-6,11-14,16H,1-4,7-10H2,(H,29,33)(H,30,31);5-6,11-12,14-16,19H,1-4,7-10H2,(H,28,29);6-9,14-15,17,19H,2-5,10-13H2,1H3,(H,26,27,28);5-6,11-14,16H,1-4,7-10H2,(H,27,28,29)
InChIKeyRQHDWHCLRYRIEG-UHFFFAOYSA-N
MW2249.54 g/mol
LogP16.81
Rot. Bonds27

About 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 160698397) has the molecular formula C116H134F5N31O12 and a molecular weight of 2249.54 g/mol. Its IUPAC name is 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID160698397
Molecular FormulaC116H134F5N31O12
Molecular Weight2249.54 g/mol
Exact Mass2248.07
IUPAC Name4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Oc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Cc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.Fc1cc(F)nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.N#Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C25H32N6O3.C23H25F3N6O3.C23H25N7O2.C23H28N6O2.C22H24F2N6O2/c1-17(2)33-21-15-28-25(29-16-21)30-18-3-5-20(6-4-18)34-23-14-19(31-9-11-32-12-10-31)13-22-24(23)27-8-7-26-22;24-23(25,26)20-13-18(30-31-20)22(33)29-14-1-3-16(4-2-14)35-19-12-15(32-7-9-34-10-8-32)11-17-21(19)28-6-5-27-17;24-13-17-14-28-22(15-27-17)29-16-1-3-19(4-2-16)32-21-12-18(30-7-9-31-10-8-30)11-20-23(21)26-6-5-25-20;1-16-6-7-26-23(27-16)28-17-2-4-19(5-3-17)31-21-15-18(29-10-12-30-13-11-29)14-20-22(21)25-9-8-24-20;23-19-13-20(24)29-22(28-19)27-14-1-3-16(4-2-14)32-18-12-15(30-7-9-31-10-8-30)11-17-21(18)26-6-5-25-17/h7-8,13-18,20H,3-6,9-12H2,1-2H3,(H,28,29,30);5-6,11-14,16H,1-4,7-10H2,(H,29,33)(H,30,31);5-6,11-12,14-16,19H,1-4,7-10H2,(H,28,29);6-9,14-15,17,19H,2-5,10-13H2,1H3,(H,26,27,28);5-6,11-14,16H,1-4,7-10H2,(H,27,28,29)
InChIKeyRQHDWHCLRYRIEG-UHFFFAOYSA-N
XLogP16.81
TPSA479.44 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds27
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002249.54
LogP ≤ 516.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Analyze 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 160698397) is 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CC(C)Oc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Cc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.Fc1cc(F)nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.N#Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is RQHDWHCLRYRIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3.C23H25F3N6O3.C23H25N7O2.C23H28N6O2.C22H24F2N6O2/c1-17(2)33-21-15-28-25(29-16-21)30-18-3-5-20(6-4-18)34-23-14-19(31-9-11-32-12-10-31)13-22-24(23)27-8-7-26-22;24-23(25,26)20-13-18(30-31-20)22(33)29-14-1-3-16(4-2-14)35-19-12-15(32-7-9-34-10-8-32)11-17-21(19)28-6-5-27-17;24-13-17-14-28-22(15-27-17)29-16-1-3-19(4-2-16)32-21-12-18(30-7-9-31-10-8-30)11-20-23(21)26-6-5-25-20;1-16-6-7-26-23(27-16)28-17-2-4-19(5-3-17)31-21-15-18(29-10-12-30-13-11-29)14-20-22(21)25-9-8-24-20;23-19-13-20(24)29-22(28-19)27-14-1-3-16(4-2-14)32-18-12-15(30-7-9-31-10-8-30)11-17-21(18)26-6-5-25-17/h7-8,13-18,20H,3-6,9-12H2,1-2H3,(H,28,29,30);5-6,11-14,16H,1-4,7-10H2,(H,29,33)(H,30,31);5-6,11-12,14-16,19H,1-4,7-10H2,(H,28,29);6-9,14-15,17,19H,2-5,10-13H2,1H3,(H,26,27,28);5-6,11-14,16H,1-4,7-10H2,(H,27,28,29).
What are the key properties of 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 2249.54 g/mol, XLogP of 16.81, 27 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 160698397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).