2-Methylpyrimidine;phosphoric acid

C₅H₉N₂O₄P — CID 159617160

About 2-Methylpyrimidine;phosphoric acid

2-Methylpyrimidine;phosphoric acid (PubChem CID 159617160) has the molecular formula C₅H₉N₂O₄P and a molecular weight of 192.11 g/mol. Its IUPAC name is 2-methylpyrimidine;phosphoric acid.

Molecular Properties

• Compound Name: 2-Methylpyrimidine;phosphoric acid
• PubChem CID: 159617160
• Molecular Formula: C₅H₉N₂O₄P
• Molecular Weight: 192.11 g/mol
• Exact Mass: 192.03
• IUPAC Name: 2-methylpyrimidine;phosphoric acid
• SMILES: Cc1ncccn1.O=P(O)(O)O
• InChI: InChI=1S/C5H6N2.H3O4P/c1-5-6-3-2-4-7-5;1-5(2,3)4/h2-4H,1H3;(H3,1,2,3,4)
• InChIKey: MNKSIKSZZFWXES-UHFFFAOYSA-N
• XLogP: -0.14
• TPSA: 103.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.11
LogP ≤ 5	-0.14
H-Bond Donors ≤ 5	3
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 2-Methylpyrimidine;phosphoric acid?

The IUPAC name of 2-Methylpyrimidine;phosphoric acid (CID 159617160) is 2-methylpyrimidine;phosphoric acid.

What is the SMILES notation for 2-Methylpyrimidine;phosphoric acid?

The canonical SMILES for 2-Methylpyrimidine;phosphoric acid is Cc1ncccn1.O=P(O)(O)O.

What is the InChIKey of 2-Methylpyrimidine;phosphoric acid?

The InChIKey is MNKSIKSZZFWXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.H3O4P/c1-5-6-3-2-4-7-5;1-5(2,3)4/h2-4H,1H3;(H3,1,2,3,4).

What are the key properties of 2-Methylpyrimidine;phosphoric acid?

2-Methylpyrimidine;phosphoric acid has a molecular weight of 192.11 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Methylpyrimidine;phosphoric acid is sourced from PubChem (CID 159617160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159617160 — identifiers, structure, computed properties (public domain)

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