2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one

C₁₃H₂₀N₄O — CID 136737815

About 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one

2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136737815) has the molecular formula C₁₃H₂₀N₄O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
• PubChem CID: 136737815
• Molecular Formula: C₁₃H₂₀N₄O
• Molecular Weight: 248.33 g/mol
• Exact Mass: 248.16
• IUPAC Name: 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
• SMILES: CCc1nc(NCCC2=CCNCC2)cc(=O)[nH]1
• InChI: InChI=1S/C13H20N4O/c1-2-11-16-12(9-13(18)17-11)15-8-5-10-3-6-14-7-4-10/h3,9,14H,2,4-8H2,1H3,(H2,15,16,17,18)
• InChIKey: PRKDRSRLZZNHIQ-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.33
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?

The IUPAC name of 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 136737815) is 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one.

What is the SMILES notation for 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?

The canonical SMILES for 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one is CCc1nc(NCCC2=CCNCC2)cc(=O)[nH]1.

What is the InChIKey of 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?

The InChIKey is PRKDRSRLZZNHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-11-16-12(9-13(18)17-11)15-8-5-10-3-6-14-7-4-10/h3,9,14H,2,4-8H2,1H3,(H2,15,16,17,18).

What are the key properties of 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?

2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136737815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 136737815 — identifiers, structure, computed properties (public domain)

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