4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde

C₁₁H₁₆N₄O₂ — CID 54613760

About 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde

4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde (PubChem CID 54613760) has the molecular formula C₁₁H₁₆N₄O₂ and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde.

Molecular Properties

• Compound Name: 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde
• PubChem CID: 54613760
• Molecular Formula: C₁₁H₁₆N₄O₂
• Molecular Weight: 236.27 g/mol
• Exact Mass: 236.13
• IUPAC Name: 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde
• SMILES: Cn1c(N2CCCCC2)nc(N)c(C=O)c1=O
• InChI: InChI=1S/C11H16N4O2/c1-14-10(17)8(7-16)9(12)13-11(14)15-5-3-2-4-6-15/h7H,2-6,12H2,1H3
• InChIKey: ARBXMEBSADDZJY-UHFFFAOYSA-N
• XLogP: 0.17
• TPSA: 81.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.27
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde?

The IUPAC name of 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde (CID 54613760) is 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde.

What is the SMILES notation for 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde?

The canonical SMILES for 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde is Cn1c(N2CCCCC2)nc(N)c(C=O)c1=O.

What is the InChIKey of 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde?

The InChIKey is ARBXMEBSADDZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-10(17)8(7-16)9(12)13-11(14)15-5-3-2-4-6-15/h7H,2-6,12H2,1H3.

What are the key properties of 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde?

4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 54613760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54613760 — identifiers, structure, computed properties (public domain)

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