5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C15H18N4O7 — CID 139085875

IUPAC5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC(=O)C(C1C(=O)N(C)C(=O)N(C)C1=O)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C15H18N4O7/c1-6(20)7(8-10(21)16(2)14(25)17(3)11(8)22)9-12(23)18(4)15(26)19(5)13(9)24/h7-9H,1-5H3
InChIKeyQVNOFXHATCFCIV-UHFFFAOYSA-N
MW366.33 g/mol
LogP-1.48
Rot. Bonds3

About 5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 139085875) has the molecular formula C15H18N4O7 and a molecular weight of 366.33 g/mol. Its IUPAC name is 5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID139085875
Molecular FormulaC15H18N4O7
Molecular Weight366.33 g/mol
Exact Mass366.12
IUPAC Name5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC(=O)C(C1C(=O)N(C)C(=O)N(C)C1=O)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C15H18N4O7/c1-6(20)7(8-10(21)16(2)14(25)17(3)11(8)22)9-12(23)18(4)15(26)19(5)13(9)24/h7-9H,1-5H3
InChIKeyQVNOFXHATCFCIV-UHFFFAOYSA-N
XLogP-1.48
TPSA132.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 139085875) is 5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CC(=O)C(C1C(=O)N(C)C(=O)N(C)C1=O)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is QVNOFXHATCFCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O7/c1-6(20)7(8-10(21)16(2)14(25)17(3)11(8)22)9-12(23)18(4)15(26)19(5)13(9)24/h7-9H,1-5H3.
What are the key properties of 5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 366.33 g/mol, XLogP of -1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 139085875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).