[2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane

C39H43N7O2S2 — CID 163470828

About [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane

[2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane (PubChem CID 163470828) has the molecular formula C39H43N7O2S2 and a molecular weight of 705.95 g/mol. Its IUPAC name is [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane.

Molecular Properties

• Compound Name: [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane
• PubChem CID: 163470828
• Molecular Formula: C39H43N7O2S2
• Molecular Weight: 705.95 g/mol
• Exact Mass: 705.29
• IUPAC Name: [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane
• SMILES: C.CC(Nc1nc(C(=O)CC2CC2)c2sccc2n1)c1ccccc1.O=C(c1nc(NCc2ccccc2)nc2ccsc12)N1CCCCC1
• InChI: InChI=1S/C19H20N4OS.C19H19N3OS.CH4/c24-18(23-10-5-2-6-11-23)16-17-15(9-12-25-17)21-19(22-16)20-13-14-7-3-1-4-8-14;1-12(14-5-3-2-4-6-14)20-19-21-15-9-10-24-18(15)17(22-19)16(23)11-13-7-8-13;/h1,3-4,7-9,12H,2,5-6,10-11,13H2,(H,20,21,22);2-6,9-10,12-13H,7-8,11H2,1H3,(H,20,21,22);1H4
• InChIKey: BWKPADKAFNHNDN-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 113.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.95
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane?

The IUPAC name of [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane (CID 163470828) is [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane.

What is the SMILES notation for [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane?

The canonical SMILES for [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane is C.CC(Nc1nc(C(=O)CC2CC2)c2sccc2n1)c1ccccc1.O=C(c1nc(NCc2ccccc2)nc2ccsc12)N1CCCCC1.

What is the InChIKey of [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane?

The InChIKey is BWKPADKAFNHNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS.C19H19N3OS.CH4/c24-18(23-10-5-2-6-11-23)16-17-15(9-12-25-17)21-19(22-16)20-13-14-7-3-1-4-8-14;1-12(14-5-3-2-4-6-14)20-19-21-15-9-10-24-18(15)17(22-19)16(23)11-13-7-8-13;/h1,3-4,7-9,12H,2,5-6,10-11,13H2,(H,20,21,22);2-6,9-10,12-13H,7-8,11H2,1H3,(H,20,21,22);1H4.

What are the key properties of [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane?

[2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane has a molecular weight of 705.95 g/mol, XLogP of 9.41, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-piperidin-1-ylmethanone;2-cyclopropyl-1-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]ethanone;methane is sourced from PubChem (CID 163470828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).