2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one

C11H15N3O2 — CID 78205749

IUPAC2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one
SMILESCC1CC(=O)NC(Nc2ccc(O)cc2)N1
InChIInChI=1S/C11H15N3O2/c1-7-6-10(16)14-11(12-7)13-8-2-4-9(15)5-3-8/h2-5,7,11-13,15H,6H2,1H3,(H,14,16)
InChIKeyPLOTUQGQVUXLST-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.59
Rot. Bonds2

About 2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one

2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one (PubChem CID 78205749) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one
PubChem CID78205749
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one
SMILESCC1CC(=O)NC(Nc2ccc(O)cc2)N1
InChIInChI=1S/C11H15N3O2/c1-7-6-10(16)14-11(12-7)13-8-2-4-9(15)5-3-8/h2-5,7,11-13,15H,6H2,1H3,(H,14,16)
InChIKeyPLOTUQGQVUXLST-UHFFFAOYSA-N
XLogP0.59
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one?
The IUPAC name of 2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one (CID 78205749) is 2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one?
The canonical SMILES for 2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one is CC1CC(=O)NC(Nc2ccc(O)cc2)N1.
What is the InChIKey of 2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one?
The InChIKey is PLOTUQGQVUXLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-6-10(16)14-11(12-7)13-8-2-4-9(15)5-3-8/h2-5,7,11-13,15H,6H2,1H3,(H,14,16).
What are the key properties of 2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one?
2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 78205749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).