ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate

C90H105N15O11 — CID 163419488

IUPACethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)-c1c(ncnc1NC1CCC(N(C)C)CC1)C2.CCOC(=O)c1ccc2c(c1)-c1c(ncnc1NC1CCC(N3CCOCC3)CC1)C2.CCOC(=O)c1ccc2c(c1)-c1c(ncnc1Nc1ccc(OC)cc1)C2.COC(=O)c1ccc2c(c1)Cc1ncnc(NC3CCC(N4CCOCC4)CC3)c1-2
InChIInChI=1S/C24H30N4O3.C23H28N4O3.C22H28N4O2.C21H19N3O3/c1-2-31-24(29)17-4-3-16-14-21-22(20(16)13-17)23(26-15-25-21)27-18-5-7-19(8-6-18)28-9-11-30-12-10-28;1-29-23(28)15-2-7-19-16(12-15)13-20-21(19)22(25-14-24-20)26-17-3-5-18(6-4-17)27-8-10-30-11-9-27;1-4-28-22(27)15-6-5-14-12-19-20(18(14)11-15)21(24-13-23-19)25-16-7-9-17(10-8-16)26(2)3;1-3-27-21(25)14-5-4-13-11-18-19(17(13)10-14)20(23-12-22-18)24-15-6-8-16(26-2)9-7-15/h3-4,13,15,18-19H,2,5-12,14H2,1H3,(H,25,26,27);2,7,12,14,17-18H,3-6,8-11,13H2,1H3,(H,24,25,26);5-6,11,13,16-17H,4,7-10,12H2,1-3H3,(H,23,24,25);4-10,12H,3,11H2,1-2H3,(H,22,23,24)
InChIKeyAHFMZAYAUPCGRL-UHFFFAOYSA-N
MW1572.92 g/mol
LogP13.66
Rot. Bonds19

About ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate

ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate (PubChem CID 163419488) has the molecular formula C90H105N15O11 and a molecular weight of 1572.92 g/mol. Its IUPAC name is ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate
PubChem CID163419488
Molecular FormulaC90H105N15O11
Molecular Weight1572.92 g/mol
Exact Mass1571.81
IUPAC Nameethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)-c1c(ncnc1NC1CCC(N(C)C)CC1)C2.CCOC(=O)c1ccc2c(c1)-c1c(ncnc1NC1CCC(N3CCOCC3)CC1)C2.CCOC(=O)c1ccc2c(c1)-c1c(ncnc1Nc1ccc(OC)cc1)C2.COC(=O)c1ccc2c(c1)Cc1ncnc(NC3CCC(N4CCOCC4)CC3)c1-2
InChIInChI=1S/C24H30N4O3.C23H28N4O3.C22H28N4O2.C21H19N3O3/c1-2-31-24(29)17-4-3-16-14-21-22(20(16)13-17)23(26-15-25-21)27-18-5-7-19(8-6-18)28-9-11-30-12-10-28;1-29-23(28)15-2-7-19-16(12-15)13-20-21(19)22(25-14-24-20)26-17-3-5-18(6-4-17)27-8-10-30-11-9-27;1-4-28-22(27)15-6-5-14-12-19-20(18(14)11-15)21(24-13-23-19)25-16-7-9-17(10-8-16)26(2)3;1-3-27-21(25)14-5-4-13-11-18-19(17(13)10-14)20(23-12-22-18)24-15-6-8-16(26-2)9-7-15/h3-4,13,15,18-19H,2,5-12,14H2,1H3,(H,25,26,27);2,7,12,14,17-18H,3-6,8-11,13H2,1H3,(H,24,25,26);5-6,11,13,16-17H,4,7-10,12H2,1-3H3,(H,23,24,25);4-10,12H,3,11H2,1-2H3,(H,22,23,24)
InChIKeyAHFMZAYAUPCGRL-UHFFFAOYSA-N
XLogP13.66
TPSA293.85 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001572.92
LogP ≤ 513.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 163790909
12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine
CID 163645764
methyl 4-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]amino]benzoate
CID 19149466
methyl 4-chloro-9H-indeno[2,1-d]pyrimidine-7-carboxylate
CID 158287878
ethyl 4-[[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]amino]piperidine-1-carboxylate;6-N-(4-methoxyphenyl)-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-(3-methylphenyl)-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
CID 158846133
ethyl 4-cyano-3-[(4-piperidin-1-ylcyclohexyl)amino]benzoate
CID 67405143
ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 18580234
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149168
ethyl 4-[[5-amino-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19139956
ethyl 3-[[6-(4-methoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate
CID 22533444
methyl 2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]pyrimidine-5-carboxylate
CID 167777879
ethyl 4-[[5-amino-6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19144025

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate (CID 163419488) is ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate is CCOC(=O)c1ccc2c(c1)-c1c(ncnc1NC1CCC(N(C)C)CC1)C2.CCOC(=O)c1ccc2c(c1)-c1c(ncnc1NC1CCC(N3CCOCC3)CC1)C2.CCOC(=O)c1ccc2c(c1)-c1c(ncnc1Nc1ccc(OC)cc1)C2.COC(=O)c1ccc2c(c1)Cc1ncnc(NC3CCC(N4CCOCC4)CC3)c1-2.
What is the InChIKey of ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate?
The InChIKey is AHFMZAYAUPCGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3.C23H28N4O3.C22H28N4O2.C21H19N3O3/c1-2-31-24(29)17-4-3-16-14-21-22(20(16)13-17)23(26-15-25-21)27-18-5-7-19(8-6-18)28-9-11-30-12-10-28;1-29-23(28)15-2-7-19-16(12-15)13-20-21(19)22(25-14-24-20)26-17-3-5-18(6-4-17)27-8-10-30-11-9-27;1-4-28-22(27)15-6-5-14-12-19-20(18(14)11-15)21(24-13-23-19)25-16-7-9-17(10-8-16)26(2)3;1-3-27-21(25)14-5-4-13-11-18-19(17(13)10-14)20(23-12-22-18)24-15-6-8-16(26-2)9-7-15/h3-4,13,15,18-19H,2,5-12,14H2,1H3,(H,25,26,27);2,7,12,14,17-18H,3-6,8-11,13H2,1H3,(H,24,25,26);5-6,11,13,16-17H,4,7-10,12H2,1-3H3,(H,23,24,25);4-10,12H,3,11H2,1-2H3,(H,22,23,24).
What are the key properties of ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate?
ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate has a molecular weight of 1572.92 g/mol, XLogP of 13.66, 19 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 163419488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).