6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione

C7H13N3O2 — CID 76560667

IUPAC6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione
SMILESCN(C)C1CC(=O)NC(=O)N1C
InChIInChI=1S/C7H13N3O2/c1-9(2)6-4-5(11)8-7(12)10(6)3/h6H,4H2,1-3H3,(H,8,11,12)
InChIKeyOGXXNRRDIHVZFE-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.55
Rot. Bonds1

About 6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione

6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 76560667) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione
PubChem CID76560667
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione
SMILESCN(C)C1CC(=O)NC(=O)N1C
InChIInChI=1S/C7H13N3O2/c1-9(2)6-4-5(11)8-7(12)10(6)3/h6H,4H2,1-3H3,(H,8,11,12)
InChIKeyOGXXNRRDIHVZFE-UHFFFAOYSA-N
XLogP-0.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione (CID 76560667) is 6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione is CN(C)C1CC(=O)NC(=O)N1C.
What is the InChIKey of 6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is OGXXNRRDIHVZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-9(2)6-4-5(11)8-7(12)10(6)3/h6H,4H2,1-3H3,(H,8,11,12).
What are the key properties of 6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione?
6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 171.20 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 76560667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).