5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione

C11H18N2O5 — CID 54198074

IUPAC5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)CC1(CC(O)CO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H18N2O5/c1-6(2)3-11(4-7(15)5-14)8(16)12-10(18)13-9(11)17/h6-7,14-15H,3-5H2,1-2H3,(H2,12,13,16,17,18)
InChIKeyPNGVJCHFMKMWDC-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.87
Rot. Bonds5

About 5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione

5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione (PubChem CID 54198074) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
PubChem CID54198074
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)CC1(CC(O)CO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H18N2O5/c1-6(2)3-11(4-7(15)5-14)8(16)12-10(18)13-9(11)17/h6-7,14-15H,3-5H2,1-2H3,(H2,12,13,16,17,18)
InChIKeyPNGVJCHFMKMWDC-UHFFFAOYSA-N
XLogP-0.87
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione (CID 54198074) is 5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione is CC(C)CC1(CC(O)CO)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is PNGVJCHFMKMWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-6(2)3-11(4-7(15)5-14)8(16)12-10(18)13-9(11)17/h6-7,14-15H,3-5H2,1-2H3,(H2,12,13,16,17,18).
What are the key properties of 5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione?
5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 258.27 g/mol, XLogP of -0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroxypropyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 54198074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).