N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine

C₁₀H₁₈N₄ — CID 173471221

About N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine

N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine (PubChem CID 173471221) has the molecular formula C₁₀H₁₈N₄ and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine
• PubChem CID: 173471221
• Molecular Formula: C₁₀H₁₈N₄
• Molecular Weight: 194.28 g/mol
• Exact Mass: 194.15
• IUPAC Name: N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine
• SMILES: CN1CCCC(NC2C=CNC=N2)C1
• InChI: InChI=1S/C10H18N4/c1-14-6-2-3-9(7-14)13-10-4-5-11-8-12-10/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,11,12)
• InChIKey: TVBFBFMZTGAUPE-UHFFFAOYSA-N
• XLogP: 0.14
• TPSA: 39.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	194.28
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine?

The IUPAC name of N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine (CID 173471221) is N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine.

What is the SMILES notation for N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine?

The canonical SMILES for N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine is CN1CCCC(NC2C=CNC=N2)C1.

What is the InChIKey of N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine?

The InChIKey is TVBFBFMZTGAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-14-6-2-3-9(7-14)13-10-4-5-11-8-12-10/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,11,12).

What are the key properties of N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine?

N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine has a molecular weight of 194.28 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 173471221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173471221 — identifiers, structure, computed properties (public domain)

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