1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea

C9H13N3O2 — CID 166685490

IUPAC1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea
SMILESCNC(=O)N(N)c1cc(O)ccc1C
InChIInChI=1S/C9H13N3O2/c1-6-3-4-7(13)5-8(6)12(10)9(14)11-2/h3-5,13H,10H2,1-2H3,(H,11,14)
InChIKeyQLHSKYWRACCNDD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.72
Rot. Bonds1

About 1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea

1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea (PubChem CID 166685490) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea
PubChem CID166685490
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea
SMILESCNC(=O)N(N)c1cc(O)ccc1C
InChIInChI=1S/C9H13N3O2/c1-6-3-4-7(13)5-8(6)12(10)9(14)11-2/h3-5,13H,10H2,1-2H3,(H,11,14)
InChIKeyQLHSKYWRACCNDD-UHFFFAOYSA-N
XLogP0.72
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea?
The IUPAC name of 1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea (CID 166685490) is 1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea.
What is the SMILES notation for 1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea?
The canonical SMILES for 1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea is CNC(=O)N(N)c1cc(O)ccc1C.
What is the InChIKey of 1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea?
The InChIKey is QLHSKYWRACCNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-3-4-7(13)5-8(6)12(10)9(14)11-2/h3-5,13H,10H2,1-2H3,(H,11,14).
What are the key properties of 1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea?
1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea has a molecular weight of 195.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(5-hydroxy-2-methylphenyl)-3-methylurea is sourced from PubChem (CID 166685490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).