C102H133Cl3KN37O7 — CID 163721989
potassium;2-N-(4-aminocyclohexyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]carbamate;2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-(5-cyano-2,3-dihydro-1H-inden-2-yl)-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]urea;2,4-dichloropyrimidine;hydride;5-methyl-1H-pyrazol-3-amine;phenyl N-(5-cyano-2,3-dihydro-1H-inden-2-yl)carbamate (PubChem CID 163721989) has the molecular formula C102H133Cl3KN37O7 and a molecular weight of 2134.89 g/mol. Its IUPAC name is potassium;2-N-(4-aminocyclohexyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]carbamate;2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-(5-cyano-2,3-dihydro-1H-inden-2-yl)-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]urea;2,4-dichloropyrimidine;hydride;5-methyl-1H-pyrazol-3-amine;phenyl N-(5-cyano-2,3-dihydro-1H-inden-2-yl)carbamate.
| Compound Name | potassium;2-N-(4-aminocyclohexyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]carbamate;2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-(5-cyano-2,3-dihydro-1H-inden-2-yl)-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]urea;2,4-dichloropyrimidine;hydride;5-methyl-1H-pyrazol-3-amine;phenyl N-(5-cyano-2,3-dihydro-1H-inden-2-yl)carbamate |
|---|---|
| PubChem CID | 163721989 |
| Molecular Formula | C102H133Cl3KN37O7 |
| Molecular Weight | 2134.89 g/mol |
| Exact Mass | 2131.99 |
| IUPAC Name | potassium;2-N-(4-aminocyclohexyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]carbamate;2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;1-(5-cyano-2,3-dihydro-1H-inden-2-yl)-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]urea;2,4-dichloropyrimidine;hydride;5-methyl-1H-pyrazol-3-amine;phenyl N-(5-cyano-2,3-dihydro-1H-inden-2-yl)carbamate |
| SMILES | CC(C)(C)OC(=O)NC1CCC(N)CC1.Cc1cc(N)n[nH]1.Cc1cc(Nc2ccnc(Cl)n2)n[nH]1.Cc1cc(Nc2ccnc(NC3CCC(N)CC3)n2)n[nH]1.Cc1cc(Nc2ccnc(NC3CCC(NC(=O)NC4Cc5ccc(C#N)cc5C4)CC3)n2)n[nH]1.Cc1cc(Nc2ccnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)n2)n[nH]1.Clc1ccnc(Cl)n1.N#Cc1ccc2c(c1)CC(NC(=O)Oc1ccccc1)C2.[H-].[K+] |
| InChI | InChI=1S/C25H29N9O.C19H29N7O2.C17H14N2O2.C14H21N7.C11H22N2O2.C8H8ClN5.C4H2Cl2N2.C4H7N3.K.H/c1-15-10-23(34-33-15)31-22-8-9-27-24(32-22)28-19-4-6-20(7-5-19)29-25(35)30-21-12-17-3-2-16(14-26)11-18(17)13-21;1-12-11-16(26-25-12)23-15-9-10-20-17(24-15)21-13-5-7-14(8-6-13)22-18(27)28-19(2,3)4;18-11-12-6-7-13-9-15(10-14(13)8-12)19-17(20)21-16-4-2-1-3-5-16;1-9-8-13(21-20-9)18-12-6-7-16-14(19-12)17-11-4-2-10(15)3-5-11;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-5-4-7(14-13-5)11-6-2-3-10-8(9)12-6;5-3-1-2-7-4(6)8-3;1-3-2-4(5)7-6-3;;/h2-3,8-11,19-21H,4-7,12-13H2,1H3,(H2,29,30,35)(H3,27,28,31,32,33,34);9-11,13-14H,5-8H2,1-4H3,(H,22,27)(H3,20,21,23,24,25,26);1-8,15H,9-10H2,(H,19,20);6-8,10-11H,2-5,15H2,1H3,(H3,16,17,18,19,20,21);8-9H,4-7,12H2,1-3H3,(H,13,14);2-4H,1H3,(H2,10,11,12,13,14);1-2H;2H,1H3,(H3,5,6,7);;/q;;;;;;;;+1;-1 |
| InChIKey | YFONNLOOTKJKEY-UHFFFAOYSA-N |
| XLogP | 14.45 |
| TPSA | 638.27 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2134.89 |
| LogP ≤ 5 | 14.45 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 34 |