[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C24H25N5O2 — CID 92575246

About [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 92575246) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
• PubChem CID: 92575246
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
• SMILES: O=C([C@H]1CCCO1)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1
• InChI: InChI=1S/C24H25N5O2/c30-24(21-9-5-13-31-21)29-12-10-18(16-29)23-27-20(17-6-4-11-25-15-17)14-22(28-23)26-19-7-2-1-3-8-19/h1-4,6-8,11,14-15,18,21H,5,9-10,12-13,16H2,(H,26,27,28)/t18-,21+/m0/s1
• InChIKey: UOJFOTGTPMHNFE-GHTZIAJQSA-N
• XLogP: 3.78
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

The IUPAC name of [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 92575246) is [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

What is the SMILES notation for [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

The canonical SMILES for [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1.

What is the InChIKey of [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

The InChIKey is UOJFOTGTPMHNFE-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-24(21-9-5-13-31-21)29-12-10-18(16-29)23-27-20(17-6-4-11-25-15-17)14-22(28-23)26-19-7-2-1-3-8-19/h1-4,6-8,11,14-15,18,21H,5,9-10,12-13,16H2,(H,26,27,28)/t18-,21+/m0/s1.

What are the key properties of [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 415.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 92575246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).