2-Amino-6-phenylpyrimidin-4-ol

C₁₀H₉N₃O — CID 135420365

About 2-Amino-6-phenylpyrimidin-4-ol

2-Amino-6-phenylpyrimidin-4-ol (PubChem CID 135420365) has the molecular formula C₁₀H₉N₃O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-amino-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-Amino-6-phenylpyrimidin-4-ol
• PubChem CID: 135420365
• Molecular Formula: C₁₀H₉N₃O
• Molecular Weight: 187.20 g/mol
• Exact Mass: 187.07
• IUPAC Name: 2-amino-4-phenyl-1H-pyrimidin-6-one
• SMILES: Nc1nc(-c2ccccc2)cc(=O)[nH]1
• InChI: InChI=1S/C10H9N3O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
• InChIKey: KXYGHDWFGFZJPJ-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 71.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	187.20
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-Amino-6-phenylpyrimidin-4-ol?

The IUPAC name of 2-Amino-6-phenylpyrimidin-4-ol (CID 135420365) is 2-amino-4-phenyl-1H-pyrimidin-6-one.

What is the SMILES notation for 2-Amino-6-phenylpyrimidin-4-ol?

The canonical SMILES for 2-Amino-6-phenylpyrimidin-4-ol is Nc1nc(-c2ccccc2)cc(=O)[nH]1.

What is the InChIKey of 2-Amino-6-phenylpyrimidin-4-ol?

The InChIKey is KXYGHDWFGFZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14).

What are the key properties of 2-Amino-6-phenylpyrimidin-4-ol?

2-Amino-6-phenylpyrimidin-4-ol has a molecular weight of 187.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Amino-6-phenylpyrimidin-4-ol is sourced from PubChem (CID 135420365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135420365 — identifiers, structure, computed properties (public domain)

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