N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide

C₁₆H₁₉FN₄O — CID 132549675

About N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide

N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide (PubChem CID 132549675) has the molecular formula C₁₆H₁₉FN₄O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide
• PubChem CID: 132549675
• Molecular Formula: C₁₆H₁₉FN₄O
• Molecular Weight: 302.35 g/mol
• Exact Mass: 302.15
• IUPAC Name: N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide
• SMILES: CN(C)c1ncc(CCCNC(=O)c2ccc(F)cc2)cn1
• InChI: InChI=1S/C16H19FN4O/c1-21(2)16-19-10-12(11-20-16)4-3-9-18-15(22)13-5-7-14(17)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,22)
• InChIKey: XJPUGCBHUJNANQ-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.35
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide?

The IUPAC name of N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide (CID 132549675) is N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide.

What is the SMILES notation for N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide?

The canonical SMILES for N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide is CN(C)c1ncc(CCCNC(=O)c2ccc(F)cc2)cn1.

What is the InChIKey of N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide?

The InChIKey is XJPUGCBHUJNANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-21(2)16-19-10-12(11-20-16)4-3-9-18-15(22)13-5-7-14(17)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,22).

What are the key properties of N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide?

N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide has a molecular weight of 302.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide is sourced from PubChem (CID 132549675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 132549675 — identifiers, structure, computed properties (public domain)

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