3-(4-aminophenyl)-1,3-diazinane-2,4-dione

C10H11N3O2 — CID 60796205

IUPAC3-(4-aminophenyl)-1,3-diazinane-2,4-dione
SMILESNc1ccc(N2C(=O)CCNC2=O)cc1
InChIInChI=1S/C10H11N3O2/c11-7-1-3-8(4-2-7)13-9(14)5-6-12-10(13)15/h1-4H,5-6,11H2,(H,12,15)
InChIKeyMEXWYTYNYCEDGO-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.72
Rot. Bonds1

About 3-(4-aminophenyl)-1,3-diazinane-2,4-dione

3-(4-aminophenyl)-1,3-diazinane-2,4-dione (PubChem CID 60796205) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(4-aminophenyl)-1,3-diazinane-2,4-dione
PubChem CID60796205
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(4-aminophenyl)-1,3-diazinane-2,4-dione
SMILESNc1ccc(N2C(=O)CCNC2=O)cc1
InChIInChI=1S/C10H11N3O2/c11-7-1-3-8(4-2-7)13-9(14)5-6-12-10(13)15/h1-4H,5-6,11H2,(H,12,15)
InChIKeyMEXWYTYNYCEDGO-UHFFFAOYSA-N
XLogP0.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-1,3-diazepane-2,4-dione
CID 80541122
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride
CID 69400856
1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
CID 159530815
2-(4-aminophenyl)diazinan-3-one
CID 105445065
3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione
CID 58896389
1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
CID 157053560
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-(4-aminophenyl)azepan-2-one
CID 58962781
(1S,2R,6S,7R)-4-(4-aminophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 7123151
2-(4-aminophenyl)-1,5-dihydropyridazin-6-one
CID 70352764
1-(3,5-diaminophenyl)pyrrolidine-2,5-dione
CID 69179258

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(4-aminophenyl)-1,3-diazinane-2,4-dione (CID 60796205) is 3-(4-aminophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(4-aminophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(4-aminophenyl)-1,3-diazinane-2,4-dione is Nc1ccc(N2C(=O)CCNC2=O)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is MEXWYTYNYCEDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-7-1-3-8(4-2-7)13-9(14)5-6-12-10(13)15/h1-4H,5-6,11H2,(H,12,15).
What are the key properties of 3-(4-aminophenyl)-1,3-diazinane-2,4-dione?
3-(4-aminophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 205.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 60796205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).