1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone

C21H20FN5O — CID 92617016

About 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 92617016) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
• PubChem CID: 92617016
• Molecular Formula: C21H20FN5O
• Molecular Weight: 377.42 g/mol
• Exact Mass: 377.17
• IUPAC Name: 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
• SMILES: Nc1ncc(-c2ccc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)nc2)cn1
• InChI: InChI=1S/C21H20FN5O/c22-17-6-3-14(4-7-17)10-20(28)27-9-1-2-19(27)18-8-5-15(11-24-18)16-12-25-21(23)26-13-16/h3-8,11-13,19H,1-2,9-10H2,(H2,23,25,26)/t19-/m1/s1
• InChIKey: MRLHKUMDKPQPLN-LJQANCHMSA-N
• XLogP: 3.17
• TPSA: 85.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.42
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?

The IUPAC name of 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 92617016) is 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone.

What is the SMILES notation for 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?

The canonical SMILES for 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone is Nc1ncc(-c2ccc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)nc2)cn1.

What is the InChIKey of 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?

The InChIKey is MRLHKUMDKPQPLN-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-17-6-3-14(4-7-17)10-20(28)27-9-1-2-19(27)18-8-5-15(11-24-18)16-12-25-21(23)26-13-16/h3-8,11-13,19H,1-2,9-10H2,(H2,23,25,26)/t19-/m1/s1.

What are the key properties of 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?

1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 377.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 92617016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).