N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one

C108H124N26O15S5 — CID 158840871

About N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one

N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 158840871) has the molecular formula C108H124N26O15S5 and a molecular weight of 2186.68 g/mol. Its IUPAC name is N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 158840871
• Molecular Formula: C108H124N26O15S5
• Molecular Weight: 2186.68 g/mol
• Exact Mass: 2184.83
• IUPAC Name: N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(C(=O)C2CCN(Cc3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)CC2)CC1.C=CC(=O)NC1CCC(C(=O)N(C)Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.C=CC(=O)NCC(=O)NCC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.C=CS(=O)(=O)N(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1
• InChI: InChI=1S/C31H36N8O3S.C29H33N9O4S.C28H33N5O4S.C20H22N4O4S2/c1-2-27(40)37-10-12-39(13-11-37)31(41)21-6-8-36(9-7-21)20-22-18-26-28(43-22)30(38-14-16-42-17-15-38)34-29(33-26)23-4-3-5-25-24(23)19-32-35-25;1-2-24(39)30-16-25(40)31-17-26(41)37-8-6-36(7-9-37)18-19-14-23-27(43-19)29(38-10-12-42-13-11-38)34-28(33-23)20-4-3-5-22-21(20)15-32-35-22;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;1-3-30(26,27)23(2)13-16-12-17-18(29-16)20(24-7-9-28-10-8-24)22-19(21-17)14-5-4-6-15(25)11-14/h2-5,18-19,21H,1,6-17,20H2,(H,32,35);2-5,14-15H,1,6-13,16-18H2,(H,30,39)(H,31,40)(H,32,35);3-6,15-16,18,20,34H,1,7-14,17H2,2H3,(H,29,35);3-6,11-12,25H,1,7-10,13H2,2H3
• InChIKey: IYFMFUOBECMFEM-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 463.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2186.68
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one (CID 158840871) is N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(C(=O)C2CCN(Cc3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)CC2)CC1.C=CC(=O)NC1CCC(C(=O)N(C)Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1.C=CC(=O)NCC(=O)NCC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.C=CS(=O)(=O)N(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1.

What is the InChIKey of N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one?

The InChIKey is IYFMFUOBECMFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N8O3S.C29H33N9O4S.C28H33N5O4S.C20H22N4O4S2/c1-2-27(40)37-10-12-39(13-11-37)31(41)21-6-8-36(9-7-21)20-22-18-26-28(43-22)30(38-14-16-42-17-15-38)34-29(33-26)23-4-3-5-25-24(23)19-32-35-25;1-2-24(39)30-16-25(40)31-17-26(41)37-8-6-36(7-9-37)18-19-14-23-27(43-19)29(38-10-12-42-13-11-38)34-28(33-23)20-4-3-5-22-21(20)15-32-35-22;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;1-3-30(26,27)23(2)13-16-12-17-18(29-16)20(24-7-9-28-10-8-24)22-19(21-17)14-5-4-6-15(25)11-14/h2-5,18-19,21H,1,6-17,20H2,(H,32,35);2-5,14-15H,1,6-13,16-18H2,(H,30,39)(H,31,40)(H,32,35);3-6,15-16,18,20,34H,1,7-14,17H2,2H3,(H,29,35);3-6,11-12,25H,1,7-10,13H2,2H3.

What are the key properties of N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one?

N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 2186.68 g/mol, XLogP of 10.80, 28 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethenesulfonamide;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-[[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]prop-2-enamide;1-[4-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158840871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).