6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione

C7H14N4O2 — CID 23338133

IUPAC6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione
SMILESCCN1C(=O)NC(N(C)C)NC1=O
InChIInChI=1S/C7H14N4O2/c1-4-11-6(12)8-5(10(2)3)9-7(11)13/h5H,4H2,1-3H3,(H,8,12)(H,9,13)
InChIKeyJEAWBVIMQOBFSR-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.41
Rot. Bonds2

About 6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione

6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione (PubChem CID 23338133) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione
PubChem CID23338133
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione
SMILESCCN1C(=O)NC(N(C)C)NC1=O
InChIInChI=1S/C7H14N4O2/c1-4-11-6(12)8-5(10(2)3)9-7(11)13/h5H,4H2,1-3H3,(H,8,12)(H,9,13)
InChIKeyJEAWBVIMQOBFSR-UHFFFAOYSA-N
XLogP-0.41
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione (CID 23338133) is 6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione is CCN1C(=O)NC(N(C)C)NC1=O.
What is the InChIKey of 6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione?
The InChIKey is JEAWBVIMQOBFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-4-11-6(12)8-5(10(2)3)9-7(11)13/h5H,4H2,1-3H3,(H,8,12)(H,9,13).
What are the key properties of 6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione?
6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione has a molecular weight of 186.21 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 23338133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).