6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine

C72H88N18O8 — CID 161442099

IUPAC6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CNc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.O=C(O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1
InChIInChI=1S/C25H32N6O2.C24H27N5O4.C23H29N7O2/c1-17(2)18-15-28-25(29-16-18)30-19-3-5-21(6-4-19)33-23-14-20(31-9-11-32-12-10-31)13-22-24(23)27-8-7-26-22;30-24(31)16-5-6-26-22(13-16)28-17-1-3-19(4-2-17)33-21-15-18(29-9-11-32-12-10-29)14-20-23(21)27-8-7-25-20;1-24-21-14-22(28-15-27-21)29-16-2-4-18(5-3-16)32-20-13-17(30-8-10-31-11-9-30)12-19-23(20)26-7-6-25-19/h7-8,13-17,19,21H,3-6,9-12H2,1-2H3,(H,28,29,30);5-8,13-15,17,19H,1-4,9-12H2,(H,26,28)(H,30,31);6-7,12-16,18H,2-5,8-11H2,1H3,(H2,24,27,28,29)
InChIKeyVZKHYHFKERVRFY-UHFFFAOYSA-N
MW1333.61 g/mol
LogP10.64
Rot. Bonds18

About 6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine

6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine (PubChem CID 161442099) has the molecular formula C72H88N18O8 and a molecular weight of 1333.61 g/mol. Its IUPAC name is 6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine
PubChem CID161442099
Molecular FormulaC72H88N18O8
Molecular Weight1333.61 g/mol
Exact Mass1332.70
IUPAC Name6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CNc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.O=C(O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1
InChIInChI=1S/C25H32N6O2.C24H27N5O4.C23H29N7O2/c1-17(2)18-15-28-25(29-16-18)30-19-3-5-21(6-4-19)33-23-14-20(31-9-11-32-12-10-31)13-22-24(23)27-8-7-26-22;30-24(31)16-5-6-26-22(13-16)28-17-1-3-19(4-2-17)33-21-15-18(29-9-11-32-12-10-29)14-20-23(21)27-8-7-25-20;1-24-21-14-22(28-15-27-21)29-16-2-4-18(5-3-16)32-20-13-17(30-8-10-31-11-9-30)12-19-23(20)26-7-6-25-19/h7-8,13-17,19,21H,3-6,9-12H2,1-2H3,(H,28,29,30);5-8,13-15,17,19H,1-4,9-12H2,(H,26,28)(H,30,31);6-7,12-16,18H,2-5,8-11H2,1H3,(H2,24,27,28,29)
InChIKeyVZKHYHFKERVRFY-UHFFFAOYSA-N
XLogP10.64
TPSA292.31 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.61
LogP ≤ 510.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol
CID 121335604
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 138546172
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,5-diamine
CID 160714072
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile
CID 90454060
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 90443904
N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 158040088
6-[2-(dimethylamino)ethoxy]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 121335601
4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335607
5-(cyclopropylmethoxy)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 157486028
5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335706
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide
CID 121335836

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine (CID 161442099) is 6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine is CC(C)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CNc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.O=C(O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.
What is the InChIKey of 6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
The InChIKey is VZKHYHFKERVRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2.C24H27N5O4.C23H29N7O2/c1-17(2)18-15-28-25(29-16-18)30-19-3-5-21(6-4-19)33-23-14-20(31-9-11-32-12-10-31)13-22-24(23)27-8-7-26-22;30-24(31)16-5-6-26-22(13-16)28-17-1-3-19(4-2-17)33-21-15-18(29-9-11-32-12-10-29)14-20-23(21)27-8-7-25-20;1-24-21-14-22(28-15-27-21)29-16-2-4-18(5-3-16)32-20-13-17(30-8-10-31-11-9-30)12-19-23(20)26-7-6-25-19/h7-8,13-17,19,21H,3-6,9-12H2,1-2H3,(H,28,29,30);5-8,13-15,17,19H,1-4,9-12H2,(H,26,28)(H,30,31);6-7,12-16,18H,2-5,8-11H2,1H3,(H2,24,27,28,29).
What are the key properties of 6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine has a molecular weight of 1333.61 g/mol, XLogP of 10.64, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 161442099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).