[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C₁₉H₁₉FN₄OS — CID 142540244

About [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 142540244) has the molecular formula C₁₉H₁₉FN₄OS and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 142540244
• Molecular Formula: C₁₉H₁₉FN₄OS
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.13
• IUPAC Name: [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
• SMILES: C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccc(F)c1
• InChI: InChI=1S/C19H19FN4OS/c1-12(13-5-4-6-14(20)11-13)21-19-22-15-7-10-26-17(15)16(23-19)18(25)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,22,23)/t12-/m0/s1
• InChIKey: FUNJSWIBTYEAQV-LBPRGKRZSA-N
• XLogP: 4.24
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 142540244) is [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccc(F)c1.

What is the InChIKey of [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is FUNJSWIBTYEAQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-12(13-5-4-6-14(20)11-13)21-19-22-15-7-10-26-17(15)16(23-19)18(25)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,22,23)/t12-/m0/s1.

What are the key properties of [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?

[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 370.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 142540244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142540244 — identifiers, structure, computed properties (public domain)

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