5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione

C12H13N3O4 — CID 13241128

IUPAC5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione
SMILESCN(C)c1ccc(C2(O)C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C12H13N3O4/c1-15(2)8-5-3-7(4-6-8)12(19)9(16)13-11(18)14-10(12)17/h3-6,19H,1-2H3,(H2,13,14,16,17,18)
InChIKeyUEUAKXYPAREUPY-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.69
Rot. Bonds2

About 5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione

5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione (PubChem CID 13241128) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione
PubChem CID13241128
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione
SMILESCN(C)c1ccc(C2(O)C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C12H13N3O4/c1-15(2)8-5-3-7(4-6-8)12(19)9(16)13-11(18)14-10(12)17/h3-6,19H,1-2H3,(H2,13,14,16,17,18)
InChIKeyUEUAKXYPAREUPY-UHFFFAOYSA-N
XLogP-0.69
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-diazinane-2,4,6-trione
CID 623782
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
methyl (4S)-4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 689403
1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 46894310
5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione
CID 24862866
1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487416
4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline
CID 15259611
5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione
CID 6003162
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
CID 157316165
(5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 143510584
3-[4-(dimethylamino)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171960397
5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol
CID 71398540

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione (CID 13241128) is 5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione is CN(C)c1ccc(C2(O)C(=O)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione?
The InChIKey is UEUAKXYPAREUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-15(2)8-5-3-7(4-6-8)12(19)9(16)13-11(18)14-10(12)17/h3-6,19H,1-2H3,(H2,13,14,16,17,18).
What are the key properties of 5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione?
5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione has a molecular weight of 263.25 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13241128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).