(2-amino-6-hydroxyphenyl)urea

C₇H₉N₃O₂ — CID 18006547

About (2-amino-6-hydroxyphenyl)urea

(2-amino-6-hydroxyphenyl)urea (PubChem CID 18006547) has the molecular formula C₇H₉N₃O₂ and a molecular weight of 167.17 g/mol. Its IUPAC name is (2-amino-6-hydroxyphenyl)urea.

Molecular Properties

• Compound Name: (2-amino-6-hydroxyphenyl)urea
• PubChem CID: 18006547
• Molecular Formula: C₇H₉N₃O₂
• Molecular Weight: 167.17 g/mol
• Exact Mass: 167.07
• IUPAC Name: (2-amino-6-hydroxyphenyl)urea
• SMILES: NC(=O)Nc1c(N)cccc1O
• InChI: InChI=1S/C7H9N3O2/c8-4-2-1-3-5(11)6(4)10-7(9)12/h1-3,11H,8H2,(H3,9,10,12)
• InChIKey: RMFGWLPGWZGXON-UHFFFAOYSA-N
• XLogP: 0.47
• TPSA: 101.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.17
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-hydroxyphenyl)urea?

The IUPAC name of (2-amino-6-hydroxyphenyl)urea (CID 18006547) is (2-amino-6-hydroxyphenyl)urea.

What is the SMILES notation for (2-amino-6-hydroxyphenyl)urea?

The canonical SMILES for (2-amino-6-hydroxyphenyl)urea is NC(=O)Nc1c(N)cccc1O.

What is the InChIKey of (2-amino-6-hydroxyphenyl)urea?

The InChIKey is RMFGWLPGWZGXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-4-2-1-3-5(11)6(4)10-7(9)12/h1-3,11H,8H2,(H3,9,10,12).

What are the key properties of (2-amino-6-hydroxyphenyl)urea?

(2-amino-6-hydroxyphenyl)urea has a molecular weight of 167.17 g/mol, XLogP of 0.47, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-6-hydroxyphenyl)urea is sourced from PubChem (CID 18006547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18006547 — identifiers, structure, computed properties (public domain)

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