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

C9H15N3O3 — CID 10910872

IUPAC1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
SMILESCC(C)NC1(C)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C9H15N3O3/c1-5(2)11-9(3)6(13)10-8(15)12(4)7(9)14/h5,11H,1-4H3,(H,10,13,15)
InChIKeyFVQXDJAMZGAYRE-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.55
Rot. Bonds2

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

1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione (PubChem CID 10910872) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
PubChem CID10910872
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
SMILESCC(C)NC1(C)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C9H15N3O3/c1-5(2)11-9(3)6(13)10-8(15)12(4)7(9)14/h5,11H,1-4H3,(H,10,13,15)
InChIKeyFVQXDJAMZGAYRE-UHFFFAOYSA-N
XLogP-0.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.55
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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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione (CID 10910872) is 1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione is CC(C)NC1(C)C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of 1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
The InChIKey is FVQXDJAMZGAYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-5(2)11-9(3)6(13)10-8(15)12(4)7(9)14/h5,11H,1-4H3,(H,10,13,15).
What are the key properties of 1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione has a molecular weight of 213.24 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 10910872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).