1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione

C10H17N3O3 — CID 11053374

IUPAC1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione
SMILESCCCNC1(C)C(=O)NC(=O)N(CC)C1=O
InChIInChI=1S/C10H17N3O3/c1-4-6-11-10(3)7(14)12-9(16)13(5-2)8(10)15/h11H,4-6H2,1-3H3,(H,12,14,16)
InChIKeyVOMHSKCAYJPUGF-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.16
Rot. Bonds4

About 1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione

1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione (PubChem CID 11053374) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione
PubChem CID11053374
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione
SMILESCCCNC1(C)C(=O)NC(=O)N(CC)C1=O
InChIInChI=1S/C10H17N3O3/c1-4-6-11-10(3)7(14)12-9(16)13(5-2)8(10)15/h11H,4-6H2,1-3H3,(H,12,14,16)
InChIKeyVOMHSKCAYJPUGF-UHFFFAOYSA-N
XLogP-0.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.16
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione (CID 11053374) is 1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione is CCCNC1(C)C(=O)NC(=O)N(CC)C1=O.
What is the InChIKey of 1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione?
The InChIKey is VOMHSKCAYJPUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-6-11-10(3)7(14)12-9(16)13(5-2)8(10)15/h11H,4-6H2,1-3H3,(H,12,14,16).
What are the key properties of 1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione?
1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione has a molecular weight of 227.26 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 11053374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).