Ethylphosphane;1-methylpyrimidine-2,4-dione

C₇H₁₃N₂O₂P — CID 175119511

About Ethylphosphane;1-methylpyrimidine-2,4-dione

Ethylphosphane;1-methylpyrimidine-2,4-dione (PubChem CID 175119511) has the molecular formula C₇H₁₃N₂O₂P and a molecular weight of 188.17 g/mol. Its IUPAC name is ethylphosphane;1-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: Ethylphosphane;1-methylpyrimidine-2,4-dione
• PubChem CID: 175119511
• Molecular Formula: C₇H₁₃N₂O₂P
• Molecular Weight: 188.17 g/mol
• Exact Mass: 188.07
• IUPAC Name: ethylphosphane;1-methylpyrimidine-2,4-dione
• SMILES: CCP.Cn1ccc(=O)[nH]c1=O
• InChI: InChI=1S/C5H6N2O2.C2H7P/c1-7-3-2-4(8)6-5(7)9;1-2-3/h2-3H,1H3,(H,6,8,9);2-3H2,1H3
• InChIKey: PBKJEQKUDIEMJG-UHFFFAOYSA-N
• XLogP: -0.05
• TPSA: 54.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.17
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethylphosphane;1-methylpyrimidine-2,4-dione?

The IUPAC name of Ethylphosphane;1-methylpyrimidine-2,4-dione (CID 175119511) is ethylphosphane;1-methylpyrimidine-2,4-dione.

What is the SMILES notation for Ethylphosphane;1-methylpyrimidine-2,4-dione?

The canonical SMILES for Ethylphosphane;1-methylpyrimidine-2,4-dione is CCP.Cn1ccc(=O)[nH]c1=O.

What is the InChIKey of Ethylphosphane;1-methylpyrimidine-2,4-dione?

The InChIKey is PBKJEQKUDIEMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C2H7P/c1-7-3-2-4(8)6-5(7)9;1-2-3/h2-3H,1H3,(H,6,8,9);2-3H2,1H3.

What are the key properties of Ethylphosphane;1-methylpyrimidine-2,4-dione?

Ethylphosphane;1-methylpyrimidine-2,4-dione has a molecular weight of 188.17 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethylphosphane;1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 175119511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175119511 — identifiers, structure, computed properties (public domain)

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