(E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide

C106H121N21O15S4 — CID 159743692

About (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide

(E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide (PubChem CID 159743692) has the molecular formula C106H121N21O15S4 and a molecular weight of 2057.53 g/mol. Its IUPAC name is (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide.

Molecular Properties

• Compound Name: (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide
• PubChem CID: 159743692
• Molecular Formula: C106H121N21O15S4
• Molecular Weight: 2057.53 g/mol
• Exact Mass: 2055.82
• IUPAC Name: (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide
• SMILES: C/C=C/C(=O)CCC(=O)N(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1.C=CC(=O)N(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1.C=CC(=O)NC1CCC(C(=O)N(C)Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.CC(C)=CC(=O)CCC(=O)NCC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
• InChI: InChI=1S/C32H38N8O4S.C28H33N5O4S.C25H28N4O4S.C21H22N4O3S/c1-21(2)16-22(41)6-7-28(42)33-19-29(43)39-10-8-38(9-11-39)20-23-17-27-30(45-23)32(40-12-14-44-15-13-40)36-31(35-27)24-4-3-5-26-25(24)18-34-37-26;1-3-24(35)29-20-9-7-18(8-10-20)28(36)32(2)17-22-16-23-25(38-22)27(33-11-13-37-14-12-33)31-26(30-23)19-5-4-6-21(34)15-19;1-3-5-18(30)8-9-22(32)28(2)16-20-15-21-23(34-20)25(29-10-12-33-13-11-29)27-24(26-21)17-6-4-7-19(31)14-17;1-3-18(27)24(2)13-16-12-17-19(29-16)21(25-7-9-28-10-8-25)23-20(22-17)14-5-4-6-15(26)11-14/h3-5,16-18H,6-15,19-20H2,1-2H3,(H,33,42)(H,34,37);3-6,15-16,18,20,34H,1,7-14,17H2,2H3,(H,29,35);3-7,14-15,31H,8-13,16H2,1-2H3;3-6,11-12,26H,1,7-10,13H2,2H3/b;;5-3+
• InChIKey: NCTYLUUFQQTJKV-SXMYUENQSA-N
• XLogP: 13.70
• TPSA: 419.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2057.53
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide?

The IUPAC name of (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide (CID 159743692) is (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide.

What is the SMILES notation for (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide?

The canonical SMILES for (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide is C/C=C/C(=O)CCC(=O)N(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1.C=CC(=O)N(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1.C=CC(=O)NC1CCC(C(=O)N(C)Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.CC(C)=CC(=O)CCC(=O)NCC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.

What is the InChIKey of (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide?

The InChIKey is NCTYLUUFQQTJKV-SXMYUENQSA-N. The full InChI is InChI=1S/C32H38N8O4S.C28H33N5O4S.C25H28N4O4S.C21H22N4O3S/c1-21(2)16-22(41)6-7-28(42)33-19-29(43)39-10-8-38(9-11-39)20-23-17-27-30(45-23)32(40-12-14-44-15-13-40)36-31(35-27)24-4-3-5-26-25(24)18-34-37-26;1-3-24(35)29-20-9-7-18(8-10-20)28(36)32(2)17-22-16-23-25(38-22)27(33-11-13-37-14-12-33)31-26(30-23)19-5-4-6-21(34)15-19;1-3-5-18(30)8-9-22(32)28(2)16-20-15-21-23(34-20)25(29-10-12-33-13-11-29)27-24(26-21)17-6-4-7-19(31)14-17;1-3-18(27)24(2)13-16-12-17-19(29-16)21(25-7-9-28-10-8-25)23-20(22-17)14-5-4-6-15(26)11-14/h3-5,16-18H,6-15,19-20H2,1-2H3,(H,33,42)(H,34,37);3-6,15-16,18,20,34H,1,7-14,17H2,2H3,(H,29,35);3-7,14-15,31H,8-13,16H2,1-2H3;3-6,11-12,26H,1,7-10,13H2,2H3/b;;5-3+;.

What are the key properties of (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide?

(E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide has a molecular weight of 2057.53 g/mol, XLogP of 13.70, 30 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-oxohept-5-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide;N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-4-(prop-2-enoylamino)cyclohexane-1-carboxamide;N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-6-methyl-4-oxohept-5-enamide is sourced from PubChem (CID 159743692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).