N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide

C₁₂H₁₉N₅ — CID 2886383

About N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide

N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide (PubChem CID 2886383) has the molecular formula C₁₂H₁₉N₅ and a molecular weight of 233.32 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide.

Molecular Properties

• Compound Name: N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide
• PubChem CID: 2886383
• Molecular Formula: C₁₂H₁₉N₅
• Molecular Weight: 233.32 g/mol
• Exact Mass: 233.16
• IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide
• SMILES: Cc1cc(C)nc(N=C(N)N2CCCCC2)n1
• InChI: InChI=1S/C12H19N5/c1-9-8-10(2)15-12(14-9)16-11(13)17-6-4-3-5-7-17/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
• InChIKey: QAVUEQKULBQSLB-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 67.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.32
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide?

The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide (CID 2886383) is N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide.

What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide?

The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide is Cc1cc(C)nc(N=C(N)N2CCCCC2)n1.

What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide?

The InChIKey is QAVUEQKULBQSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9-8-10(2)15-12(14-9)16-11(13)17-6-4-3-5-7-17/h8H,3-7H2,1-2H3,(H2,13,14,15,16).

What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide?

N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide has a molecular weight of 233.32 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 2886383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2886383 — identifiers, structure, computed properties (public domain)

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