[1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

C21H25FN4O2S — CID 25266374

About [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

[1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (PubChem CID 25266374) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol.

Molecular Properties

• Compound Name: [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• PubChem CID: 25266374
• Molecular Formula: C21H25FN4O2S
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.17
• IUPAC Name: [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• SMILES: O=S1CCc2nc(N3CCC(c4cccc(F)c4)CC3)nc(NC3(CO)CC3)c21
• InChI: InChI=1S/C21H25FN4O2S/c22-16-3-1-2-15(12-16)14-4-9-26(10-5-14)20-23-17-6-11-29(28)18(17)19(24-20)25-21(13-27)7-8-21/h1-3,12,14,27H,4-11,13H2,(H,23,24,25)
• InChIKey: PERUWAJTBMBYTN-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

The IUPAC name of [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (CID 25266374) is [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol.

What is the SMILES notation for [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

The canonical SMILES for [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is O=S1CCc2nc(N3CCC(c4cccc(F)c4)CC3)nc(NC3(CO)CC3)c21.

What is the InChIKey of [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

The InChIKey is PERUWAJTBMBYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c22-16-3-1-2-15(12-16)14-4-9-26(10-5-14)20-23-17-6-11-29(28)18(17)19(24-20)25-21(13-27)7-8-21/h1-3,12,14,27H,4-11,13H2,(H,23,24,25).

What are the key properties of [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

[1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol has a molecular weight of 416.52 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2-[4-(3-fluorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is sourced from PubChem (CID 25266374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).