[2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C₁₈H₁₇FN₄O₂S — CID 142540171

About [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 142540171) has the molecular formula C₁₈H₁₇FN₄O₂S and a molecular weight of 372.43 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
• PubChem CID: 142540171
• Molecular Formula: C₁₈H₁₇FN₄O₂S
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.11
• IUPAC Name: [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
• SMILES: O=C(c1nc(NCc2cccc(F)c2)nc2ccsc12)N1CC[C@@H](O)C1
• InChI: InChI=1S/C18H17FN4O2S/c19-12-3-1-2-11(8-12)9-20-18-21-14-5-7-26-16(14)15(22-18)17(25)23-6-4-13(24)10-23/h1-3,5,7-8,13,24H,4,6,9-10H2,(H,20,21,22)/t13-/m1/s1
• InChIKey: SGPLNASMVXAYIT-CYBMUJFWSA-N
• XLogP: 2.65
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

The IUPAC name of [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 142540171) is [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

What is the SMILES notation for [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

The canonical SMILES for [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1nc(NCc2cccc(F)c2)nc2ccsc12)N1CC[C@@H](O)C1.

What is the InChIKey of [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

The InChIKey is SGPLNASMVXAYIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-12-3-1-2-11(8-12)9-20-18-21-14-5-7-26-16(14)15(22-18)17(25)23-6-4-13(24)10-23/h1-3,5,7-8,13,24H,4,6,9-10H2,(H,20,21,22)/t13-/m1/s1.

What are the key properties of [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

[2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 372.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 142540171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142540171 — identifiers, structure, computed properties (public domain)

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