C129H147N39O4 — CID 158215695
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;N-(5-methyl-1H-pyrazol-3-yl)-6-(oxan-4-yloxy)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine;6-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(oxolan-2-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 158215695) has the molecular formula C129H147N39O4 and a molecular weight of 2307.86 g/mol. Its IUPAC name is 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;N-(5-methyl-1H-pyrazol-3-yl)-6-(oxan-4-yloxy)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine;6-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(oxolan-2-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.
| Compound Name | 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;N-(5-methyl-1H-pyrazol-3-yl)-6-(oxan-4-yloxy)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine;6-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(oxolan-2-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine |
|---|---|
| PubChem CID | 158215695 |
| Molecular Formula | C129H147N39O4 |
| Molecular Weight | 2307.86 g/mol |
| Exact Mass | 2306.25 |
| IUPAC Name | 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;N-(5-methyl-1H-pyrazol-3-yl)-6-(oxan-4-yloxy)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine;6-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(oxolan-2-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine |
| SMILES | Cc1cc(Nc2cc(N3CCCC3)nc(/C=C/c3ccccc3)n2)n[nH]1.Cc1cc(Nc2cc(NC3CCCO3)nc(/C=C/c3ccccc3)n2)n[nH]1.Cc1cc(Nc2cc(NCCN3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1.Cc1cc(Nc2cc(NCCN3CCOCC3)nc(/C=C/c3ccccc3)n2)n[nH]1.Cc1cc(Nc2cc(NCCc3ccncc3)nc(/C=C/c3ccccc3)n2)n[nH]1.Cc1cc(Nc2cc(OC3CCOCC3)nc(/C=C/c3ccccc3)n2)n[nH]1 |
| InChI | InChI=1S/C23H30N8.C23H23N7.C22H27N7O.C21H23N5O2.C20H22N6O.C20H22N6/c1-18-16-23(29-28-18)27-22-17-21(24-10-11-31-14-12-30(2)13-15-31)25-20(26-22)9-8-19-6-4-3-5-7-19;1-17-15-23(30-29-17)28-22-16-21(25-14-11-19-9-12-24-13-10-19)26-20(27-22)8-7-18-5-3-2-4-6-18;1-17-15-22(28-27-17)26-21-16-20(23-9-10-29-11-13-30-14-12-29)24-19(25-21)8-7-18-5-3-2-4-6-18;1-15-13-20(26-25-15)23-19-14-21(28-17-9-11-27-12-10-17)24-18(22-19)8-7-16-5-3-2-4-6-16;1-14-12-19(26-25-14)23-17-13-18(24-20-8-5-11-27-20)22-16(21-17)10-9-15-6-3-2-4-7-15;1-15-13-19(25-24-15)22-18-14-20(26-11-5-6-12-26)23-17(21-18)10-9-16-7-3-2-4-8-16/h3-9,16-17H,10-15H2,1-2H3,(H3,24,25,26,27,28,29);2-10,12-13,15-16H,11,14H2,1H3,(H3,25,26,27,28,29,30);2-8,15-16H,9-14H2,1H3,(H3,23,24,25,26,27,28);2-8,13-14,17H,9-12H2,1H3,(H2,22,23,24,25,26);2-4,6-7,9-10,12-13,20H,5,8,11H2,1H3,(H3,21,22,23,24,25,26);2-4,7-10,13-14H,5-6,11-12H2,1H3,(H2,21,22,23,24,25)/b9-8+;3*8-7+;2*10-9+ |
| InChIKey | GCPQYMCWSMCSMY-UOYIJIJNSA-N |
| XLogP | 22.69 |
| TPSA | 509.83 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 172 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2307.86 |
| LogP ≤ 5 | 22.69 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 37 |