2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol

C94H111F3N24O13 — CID 157293917

IUPAC2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.OCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O[C@@H](c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F
InChIInChI=1S/C24H27F3N6O3.C24H30N6O3.C23H26N6O4.C23H28N6O3/c25-24(26,27)22(34)15-13-30-23(31-14-15)32-16-1-3-18(4-2-16)36-20-12-17(33-7-9-35-10-8-33)11-19-21(20)29-6-5-28-19;1-16(31)17-14-27-24(28-15-17)29-18-2-4-20(5-3-18)33-22-13-19(30-8-10-32-11-9-30)12-21-23(22)26-7-6-25-21;30-22(31)18-5-6-26-23(28-18)27-15-1-3-17(4-2-15)33-20-14-16(29-9-11-32-12-10-29)13-19-21(20)25-8-7-24-19;30-15-16-13-26-23(27-14-16)28-17-1-3-19(4-2-17)32-21-12-18(29-7-9-31-10-8-29)11-20-22(21)25-6-5-24-20/h5-6,11-14,16,18,22,34H,1-4,7-10H2,(H,30,31,32);6-7,12-16,18,20,31H,2-5,8-11H2,1H3,(H,27,28,29);5-8,13-15,17H,1-4,9-12H2,(H,30,31)(H,26,27,28);5-6,11-14,17,19,30H,1-4,7-10,15H2,(H,26,27,28)/t16?,18?,22-;;;/m0.../s1
InChIKeyBBCTWNVBVJMIAZ-BHCHVJCBSA-N
MW1842.07 g/mol
LogP12.07
Rot. Bonds24

About 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol

2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol (PubChem CID 157293917) has the molecular formula C94H111F3N24O13 and a molecular weight of 1842.07 g/mol. Its IUPAC name is 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
PubChem CID157293917
Molecular FormulaC94H111F3N24O13
Molecular Weight1842.07 g/mol
Exact Mass1840.87
IUPAC Name2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.OCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O[C@@H](c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F
InChIInChI=1S/C24H27F3N6O3.C24H30N6O3.C23H26N6O4.C23H28N6O3/c25-24(26,27)22(34)15-13-30-23(31-14-15)32-16-1-3-18(4-2-16)36-20-12-17(33-7-9-35-10-8-33)11-19-21(20)29-6-5-28-19;1-16(31)17-14-27-24(28-15-17)29-18-2-4-20(5-3-18)33-22-13-19(30-8-10-32-11-9-30)12-21-23(22)26-7-6-25-21;30-22(31)18-5-6-26-23(28-18)27-15-1-3-17(4-2-15)33-20-14-16(29-9-11-32-12-10-29)13-19-21(20)25-8-7-24-19;30-15-16-13-26-23(27-14-16)28-17-1-3-19(4-2-17)32-21-12-18(29-7-9-31-10-8-29)11-20-22(21)25-6-5-24-20/h5-6,11-14,16,18,22,34H,1-4,7-10H2,(H,30,31,32);6-7,12-16,18,20,31H,2-5,8-11H2,1H3,(H,27,28,29);5-8,13-15,17H,1-4,9-12H2,(H,30,31)(H,26,27,28);5-6,11-14,17,19,30H,1-4,7-10,15H2,(H,26,27,28)/t16?,18?,22-;;;/m0.../s1
InChIKeyBBCTWNVBVJMIAZ-BHCHVJCBSA-N
XLogP12.07
TPSA439.15 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001842.07
LogP ≤ 512.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 90454061
(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 90454067
2,2,2-Trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 121335565
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 121335791
2,2,2-Trifluoro-1-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridin-3-yl]ethanol
CID 121335892
(1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 121380714
(1R)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 124083073
N-[4-[7-[2-[8-[4-[[6-(2-methoxyethylamino)pyrimidin-4-yl]amino]cyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-yl]morpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 138546176
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]pyrimidin-2-amine
CID 156254596
4-N-[4-[8-[4-[[5-fluoro-6-(oxolan-3-ylamino)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-yl]morpholin-2-yl]-5-methoxy-2-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 156254604
2-[2-[[4-[8-[4-[(5-Fluoro-4-methylpyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-yl]morpholin-2-yl]-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 156254609
methyl (2S)-2-[[4-[7-[2-[(2R,5S)-2-[(5-fluoro-2-methoxypyrimidin-4-yl)amino]-5-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]morpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]carbamoylamino]-4-methylpentanoate
CID 156254615

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The IUPAC name of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol (CID 157293917) is 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The canonical SMILES for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol is CC(O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.OCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O[C@@H](c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F.
What is the InChIKey of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The InChIKey is BBCTWNVBVJMIAZ-BHCHVJCBSA-N. The full InChI is InChI=1S/C24H27F3N6O3.C24H30N6O3.C23H26N6O4.C23H28N6O3/c25-24(26,27)22(34)15-13-30-23(31-14-15)32-16-1-3-18(4-2-16)36-20-12-17(33-7-9-35-10-8-33)11-19-21(20)29-6-5-28-19;1-16(31)17-14-27-24(28-15-17)29-18-2-4-20(5-3-18)33-22-13-19(30-8-10-32-11-9-30)12-21-23(22)26-7-6-25-21;30-22(31)18-5-6-26-23(28-18)27-15-1-3-17(4-2-15)33-20-14-16(29-9-11-32-12-10-29)13-19-21(20)25-8-7-24-19;30-15-16-13-26-23(27-14-16)28-17-1-3-19(4-2-17)32-21-12-18(29-7-9-31-10-8-29)11-20-22(21)25-6-5-24-20/h5-6,11-14,16,18,22,34H,1-4,7-10H2,(H,30,31,32);6-7,12-16,18,20,31H,2-5,8-11H2,1H3,(H,27,28,29);5-8,13-15,17H,1-4,9-12H2,(H,30,31)(H,26,27,28);5-6,11-14,17,19,30H,1-4,7-10,15H2,(H,26,27,28)/t16?,18?,22-;;;/m0.../s1.
What are the key properties of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol has a molecular weight of 1842.07 g/mol, XLogP of 12.07, 24 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxylic acid;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 157293917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).