5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione

C11H10N2O4 — CID 11075334

IUPAC5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(CO)(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H10N2O4/c14-6-11(7-4-2-1-3-5-7)8(15)12-10(17)13-9(11)16/h1-5,14H,6H2,(H2,12,13,15,16,17)
InChIKeyWIRNNGPDEKSCMF-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.72
Rot. Bonds2

About 5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione

5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 11075334) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID11075334
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(CO)(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H10N2O4/c14-6-11(7-4-2-1-3-5-7)8(15)12-10(17)13-9(11)16/h1-5,14H,6H2,(H2,12,13,15,16,17)
InChIKeyWIRNNGPDEKSCMF-UHFFFAOYSA-N
XLogP-0.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,4-dioxane;bis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042175
tetrakis(1,4-dioxane);tetrakis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042176
5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 3026925
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole
CID 67286022
5-ethyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033297
5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione
CID 3026932
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid
CID 146180545
5-benzyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione
CID 118541158
sodium;5,5-diphenylimidazolidine-2,4-dione;hydride
CID 154804358
(4R,5R)-4,5-dihydroxy-4,5-diphenylimidazolidin-2-one
CID 729895
benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 174876290
5-[4-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-phenyl-1,3-diazinane-2,4,6-trione
CID 57017075

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione (CID 11075334) is 5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(CO)(c2ccccc2)C(=O)N1.
What is the InChIKey of 5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WIRNNGPDEKSCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-6-11(7-4-2-1-3-5-7)8(15)12-10(17)13-9(11)16/h1-5,14H,6H2,(H2,12,13,15,16,17).
What are the key properties of 5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 234.21 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 11075334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).