About 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 158504298) has the molecular formula C142H194N30O15S5
and a molecular weight of 2721.64 g/mol. Its IUPAC name is 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 158504298) is 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C.C.C=C(NCc1c(C)nn(C)c1C)c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.C=C(c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1)N(C)C1CC1.CN1CCC(N(C)C(=O)c2ccc(OC3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)cc2)CC1.Cc1ccc(C2CCN(c3nc4c(c(NC5C[C@H]5N)n3)S(=O)CC4)CC2)cc1.Cc1nn(C)cc1C(C)NC(=O)c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.
What is the InChIKey of 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is HKGYNKQMWHYCSY-UDGAONCTSA-N. The full InChI is InChI=1S/C31H41N7O3S.C30H39N7O4S.C30H42N6O4S.C28H37N5O3S.C21H27N5OS.2CH4/c1-20(32-19-27-21(2)36-37(4)22(27)3)23-5-7-25(8-6-23)41-26-9-14-38(15-10-26)31-34-28-13-18-42(39)29(28)30(35-31)33-24-11-16-40-17-12-24;1-19(25-18-36(3)35-20(25)2)31-29(38)21-4-6-23(7-5-21)41-24-8-13-37(14-9-24)30-33-26-12-17-42(39)27(26)28(34-30)32-22-10-15-40-16-11-22;1-34-14-7-23(8-15-34)35(2)29(37)21-3-5-24(6-4-21)40-25-9-16-36(17-10-25)30-32-26-13-20-41(38)27(26)28(33-30)31-22-11-18-39-19-12-22;1-19(32(2)22-5-6-22)20-3-7-23(8-4-20)36-24-9-14-33(15-10-24)28-30-25-13-18-37(34)26(25)27(31-28)29-21-11-16-35-17-12-21;1-13-2-4-14(5-3-13)15-6-9-26(10-7-15)21-24-17-8-11-28(27)19(17)20(25-21)23-18-12-16(18)22;;/h5-8,24,26,32H,1,9-19H2,2-4H3,(H,33,34,35);4-7,18-19,22,24H,8-17H2,1-3H3,(H,31,38)(H,32,33,34);3-6,22-23,25H,7-20H2,1-2H3,(H,31,32,33);3-4,7-8,21-22,24H,1,5-6,9-18H2,2H3,(H,29,30,31);2-5,15-16,18H,6-12,22H2,1H3,(H,23,24,25);2*1H4/t;;;;16-,18?,28?;;/m....1../s1.
What are the key properties of 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 2721.64 g/mol, XLogP of 17.61, 36 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;(2R)-1-N-[2-[4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]cyclopropane-1,2-diamine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158504298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).