1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione

C19H19N3O3 — CID 11121265

IUPAC1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
SMILESCC(C)NC1(c2ccccc2)C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C19H19N3O3/c1-13(2)21-19(14-9-5-3-6-10-14)16(23)20-18(25)22(17(19)24)15-11-7-4-8-12-15/h3-13,21H,1-2H3,(H,20,23,25)
InChIKeyQYSQFYGBXZLAGD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.16
Rot. Bonds4

About 1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione

1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione (PubChem CID 11121265) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
PubChem CID11121265
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
SMILESCC(C)NC1(c2ccccc2)C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C19H19N3O3/c1-13(2)21-19(14-9-5-3-6-10-14)16(23)20-18(25)22(17(19)24)15-11-7-4-8-12-15/h3-13,21H,1-2H3,(H,20,23,25)
InChIKeyQYSQFYGBXZLAGD-UHFFFAOYSA-N
XLogP2.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598541
5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione
CID 118199478
5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79801017
1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one
CID 5379256
1,3,3-triphenyl-4-sulfanylideneazetidin-2-one
CID 165357462
5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 528903
7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946177
9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione
CID 115434500
1-(3-chlorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112598230
(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 7916777
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4609446
5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione
CID 75080808

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione (CID 11121265) is 1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione is CC(C)NC1(c2ccccc2)C(=O)NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
The InChIKey is QYSQFYGBXZLAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(2)21-19(14-9-5-3-6-10-14)16(23)20-18(25)22(17(19)24)15-11-7-4-8-12-15/h3-13,21H,1-2H3,(H,20,23,25).
What are the key properties of 1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione has a molecular weight of 337.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 11121265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).