2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

C20H20FN5O2 — CID 11494661

About 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (PubChem CID 11494661) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
• PubChem CID: 11494661
• Molecular Formula: C20H20FN5O2
• Molecular Weight: 381.41 g/mol
• Exact Mass: 381.16
• IUPAC Name: 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
• SMILES: Cn1c(N2CCO[C@@H](c3ccc(N)cc3)C2)nc(-c2ccncc2F)cc1=O
• InChI: InChI=1S/C20H20FN5O2/c1-25-19(27)10-17(15-6-7-23-11-16(15)21)24-20(25)26-8-9-28-18(12-26)13-2-4-14(22)5-3-13/h2-7,10-11,18H,8-9,12,22H2,1H3/t18-/m1/s1
• InChIKey: CVARYQGFQNOCPT-GOSISDBHSA-N
• XLogP: 2.14
• TPSA: 86.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.41
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?

The IUPAC name of 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (CID 11494661) is 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.

What is the SMILES notation for 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?

The canonical SMILES for 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is Cn1c(N2CCO[C@@H](c3ccc(N)cc3)C2)nc(-c2ccncc2F)cc1=O.

What is the InChIKey of 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?

The InChIKey is CVARYQGFQNOCPT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-25-19(27)10-17(15-6-7-23-11-16(15)21)24-20(25)26-8-9-28-18(12-26)13-2-4-14(22)5-3-13/h2-7,10-11,18H,8-9,12,22H2,1H3/t18-/m1/s1.

What are the key properties of 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?

2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one has a molecular weight of 381.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-(4-aminophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 11494661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).