3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C130H121N27O4S6 — CID 159257677

About 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 159257677) has the molecular formula C130H121N27O4S6 and a molecular weight of 2317.98 g/mol. Its IUPAC name is 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
• PubChem CID: 159257677
• Molecular Formula: C130H121N27O4S6
• Molecular Weight: 2317.98 g/mol
• Exact Mass: 2315.84
• IUPAC Name: 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
• SMILES: C.CC(Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccncc1.CCC1COCCN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.CCN1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc23)CC1.CS(=O)(=O)Nc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.OCC1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1.c1ccc(-c2csc3nc(-c4ccccn4)nc(NCc4ccccn4)c23)cc1
• InChI: InChI=1S/C23H23N5S.C23H17N5S.2C23H22N4OS.C19H19N5.C18H14N4O2S2.CH4/c1-2-27-12-14-28(15-13-27)22-18-16-20(17-8-4-3-5-9-17)29-23(18)26-21(25-22)19-10-6-7-11-24-19;1-2-8-16(9-3-1)18-15-29-23-20(18)22(26-14-17-10-4-6-12-24-17)27-21(28-23)19-11-5-7-13-25-19;1-2-17-14-28-13-12-27(17)22-20-18(16-8-4-3-5-9-16)15-29-23(20)26-21(25-22)19-10-6-7-11-24-19;28-14-16-7-6-12-27(13-16)22-20-18(17-8-2-1-3-9-17)15-29-23(20)26-21(25-22)19-10-4-5-11-24-19;1-13(14-8-11-20-12-9-14)22-18-15-5-4-7-16(15)23-19(24-18)17-6-2-3-10-21-17;1-26(23,24)22-17-15-13(12-7-3-2-4-8-12)11-25-18(15)21-16(20-17)14-9-5-6-10-19-14;/h3-11,16H,2,12-15H2,1H3;1-13,15H,14H2,(H,26,27,28);3-11,15,17H,2,12-14H2,1H3;1-5,8-11,15-16,28H,6-7,12-14H2;2-3,6,8-13H,4-5,7H2,1H3,(H,22,23,24);2-11H,1H3,(H,20,21,22);1H4
• InChIKey: KWCKWPQGKNIDMO-UHFFFAOYSA-N
• XLogP: 27.68
• TPSA: 370.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2317.98
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The IUPAC name of 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 159257677) is 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

What is the SMILES notation for 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The canonical SMILES for 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is C.CC(Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccncc1.CCC1COCCN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.CCN1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc23)CC1.CS(=O)(=O)Nc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.OCC1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1.c1ccc(-c2csc3nc(-c4ccccn4)nc(NCc4ccccn4)c23)cc1.

What is the InChIKey of 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The InChIKey is KWCKWPQGKNIDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S.C23H17N5S.2C23H22N4OS.C19H19N5.C18H14N4O2S2.CH4/c1-2-27-12-14-28(15-13-27)22-18-16-20(17-8-4-3-5-9-17)29-23(18)26-21(25-22)19-10-6-7-11-24-19;1-2-8-16(9-3-1)18-15-29-23-20(18)22(26-14-17-10-4-6-12-24-17)27-21(28-23)19-11-5-7-13-25-19;1-2-17-14-28-13-12-27(17)22-20-18(16-8-4-3-5-9-16)15-29-23(20)26-21(25-22)19-10-6-7-11-24-19;28-14-16-7-6-12-27(13-16)22-20-18(17-8-2-1-3-9-17)15-29-23(20)26-21(25-22)19-10-4-5-11-24-19;1-13(14-8-11-20-12-9-14)22-18-15-5-4-7-16(15)23-19(24-18)17-6-2-3-10-21-17;1-26(23,24)22-17-15-13(12-7-3-2-4-8-12)11-25-18(15)21-16(20-17)14-9-5-6-10-19-14;/h3-11,16H,2,12-15H2,1H3;1-13,15H,14H2,(H,26,27,28);3-11,15,17H,2,12-14H2,1H3;1-5,8-11,15-16,28H,6-7,12-14H2;2-3,6,8-13H,4-5,7H2,1H3,(H,22,23,24);2-11H,1H3,(H,20,21,22);1H4.

What are the key properties of 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 2317.98 g/mol, XLogP of 27.68, 25 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(4-ethylpiperazin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;methane;5-phenyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)methanesulfonamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol;2-pyridin-2-yl-N-(1-pyridin-4-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 159257677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).