2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate

C107H144N28O24S4 — CID 157098690

IUPAC2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate
SMILESCOCOc1cc(OCOC)c(C(C)C)cc1-c1n[nH]c(=S)n1-c1cnc(N2CCOCC2)nc1.COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(SC)n1-c1cnc(N2CCOCC2)nc1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NN.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NNC(=S)Nc1cnc(N2CCOCC2)nc1.Nc1cnc(N2CCOCC2)nc1.S=C(Nc1cnc(N2CCOCC2)nc1)Oc1ccccc1
InChIInChI=1S/C24H32N6O5S.C23H32N6O6S.C23H30N6O5S.C15H16N4O2S.C14H22N2O5.C8H12N4O/c1-16(2)18-10-19(21(35-15-32-4)11-20(18)34-14-31-3)22-27-28-24(36-5)30(22)17-12-25-23(26-13-17)29-6-8-33-9-7-29;1-15(2)17-9-18(20(35-14-32-4)10-19(17)34-13-31-3)21(30)27-28-23(36)26-16-11-24-22(25-12-16)29-5-7-33-8-6-29;1-15(2)17-9-18(20(34-14-31-4)10-19(17)33-13-30-3)21-26-27-23(35)29(21)16-11-24-22(25-12-16)28-5-7-32-8-6-28;22-15(21-13-4-2-1-3-5-13)18-12-10-16-14(17-11-12)19-6-8-20-9-7-19;1-9(2)10-5-11(14(17)16-15)13(21-8-19-4)6-12(10)20-7-18-3;9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h10-13,16H,6-9,14-15H2,1-5H3;9-12,15H,5-8,13-14H2,1-4H3,(H,27,30)(H2,26,28,36);9-12,15H,5-8,13-14H2,1-4H3,(H,27,35);1-5,10-11H,6-9H2,(H,18,22);5-6,9H,7-8,15H2,1-4H3,(H,16,17);5-6H,1-4,9H2
InChIKeyAFMWXNVWEYQONY-UHFFFAOYSA-N
MW2334.77 g/mol
LogP12.08
Rot. Bonds43

About 2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate

2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate (PubChem CID 157098690) has the molecular formula C107H144N28O24S4 and a molecular weight of 2334.77 g/mol. Its IUPAC name is 2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate.

Molecular Properties

Compound Name2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate
PubChem CID157098690
Molecular FormulaC107H144N28O24S4
Molecular Weight2334.77 g/mol
Exact Mass2332.98
IUPAC Name2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate
SMILESCOCOc1cc(OCOC)c(C(C)C)cc1-c1n[nH]c(=S)n1-c1cnc(N2CCOCC2)nc1.COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(SC)n1-c1cnc(N2CCOCC2)nc1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NN.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NNC(=S)Nc1cnc(N2CCOCC2)nc1.Nc1cnc(N2CCOCC2)nc1.S=C(Nc1cnc(N2CCOCC2)nc1)Oc1ccccc1
InChIInChI=1S/C24H32N6O5S.C23H32N6O6S.C23H30N6O5S.C15H16N4O2S.C14H22N2O5.C8H12N4O/c1-16(2)18-10-19(21(35-15-32-4)11-20(18)34-14-31-3)22-27-28-24(36-5)30(22)17-12-25-23(26-13-17)29-6-8-33-9-7-29;1-15(2)17-9-18(20(35-14-32-4)10-19(17)34-13-31-3)21(30)27-28-23(36)26-16-11-24-22(25-12-16)29-5-7-33-8-6-29;1-15(2)17-9-18(20(34-14-31-4)10-19(17)33-13-30-3)21-26-27-23(35)29(21)16-11-24-22(25-12-16)28-5-7-32-8-6-28;22-15(21-13-4-2-1-3-5-13)18-12-10-16-14(17-11-12)19-6-8-20-9-7-19;1-9(2)10-5-11(14(17)16-15)13(21-8-19-4)6-12(10)20-7-18-3;9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h10-13,16H,6-9,14-15H2,1-5H3;9-12,15H,5-8,13-14H2,1-4H3,(H,27,30)(H2,26,28,36);9-12,15H,5-8,13-14H2,1-4H3,(H,27,35);1-5,10-11H,6-9H2,(H,18,22);5-6,9H,7-8,15H2,1-4H3,(H,16,17);5-6H,1-4,9H2
InChIKeyAFMWXNVWEYQONY-UHFFFAOYSA-N
XLogP12.08
TPSA558.81 Ų
H-Bond Donors8
H-Bond Acceptors50
Rotatable Bonds43
Heavy Atoms163
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002334.77
LogP ≤ 512.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate?
The IUPAC name of 2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate (CID 157098690) is 2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate.
What is the SMILES notation for 2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate?
The canonical SMILES for 2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate is COCOc1cc(OCOC)c(C(C)C)cc1-c1n[nH]c(=S)n1-c1cnc(N2CCOCC2)nc1.COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(SC)n1-c1cnc(N2CCOCC2)nc1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NN.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NNC(=S)Nc1cnc(N2CCOCC2)nc1.Nc1cnc(N2CCOCC2)nc1.S=C(Nc1cnc(N2CCOCC2)nc1)Oc1ccccc1.
What is the InChIKey of 2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate?
The InChIKey is AFMWXNVWEYQONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5S.C23H32N6O6S.C23H30N6O5S.C15H16N4O2S.C14H22N2O5.C8H12N4O/c1-16(2)18-10-19(21(35-15-32-4)11-20(18)34-14-31-3)22-27-28-24(36-5)30(22)17-12-25-23(26-13-17)29-6-8-33-9-7-29;1-15(2)17-9-18(20(35-14-32-4)10-19(17)34-13-31-3)21(30)27-28-23(36)26-16-11-24-22(25-12-16)29-5-7-33-8-6-29;1-15(2)17-9-18(20(34-14-31-4)10-19(17)33-13-30-3)21-26-27-23(35)29(21)16-11-24-22(25-12-16)28-5-7-32-8-6-28;22-15(21-13-4-2-1-3-5-13)18-12-10-16-14(17-11-12)19-6-8-20-9-7-19;1-9(2)10-5-11(14(17)16-15)13(21-8-19-4)6-12(10)20-7-18-3;9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h10-13,16H,6-9,14-15H2,1-5H3;9-12,15H,5-8,13-14H2,1-4H3,(H,27,30)(H2,26,28,36);9-12,15H,5-8,13-14H2,1-4H3,(H,27,35);1-5,10-11H,6-9H2,(H,18,22);5-6,9H,7-8,15H2,1-4H3,(H,16,17);5-6H,1-4,9H2.
What are the key properties of 2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate?
2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate has a molecular weight of 2334.77 g/mol, XLogP of 12.08, 43 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methoxymethoxy)-5-propan-2-ylbenzohydrazide;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)thiourea;4-[5-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]pyrimidin-2-yl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-1,2,4-triazole-5-thione;2-morpholin-4-ylpyrimidin-5-amine;O-phenyl N-(2-morpholin-4-ylpyrimidin-5-yl)carbamothioate is sourced from PubChem (CID 157098690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).