1,3,5-trimethyl-1,3-diazinane-2,4-dione

C7H12N2O2 — CID 535959

IUPAC1,3,5-trimethyl-1,3-diazinane-2,4-dione
SMILESCC1CN(C)C(=O)N(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-5-4-8(2)7(11)9(3)6(5)10/h5H,4H2,1-3H3
InChIKeyVWTYZDMKFMFQIY-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.15
Rot. Bonds

About 1,3,5-trimethyl-1,3-diazinane-2,4-dione

1,3,5-trimethyl-1,3-diazinane-2,4-dione (PubChem CID 535959) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1,3,5-trimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3,5-trimethyl-1,3-diazinane-2,4-dione
PubChem CID535959
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1,3,5-trimethyl-1,3-diazinane-2,4-dione
SMILESCC1CN(C)C(=O)N(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-5-4-8(2)7(11)9(3)6(5)10/h5H,4H2,1-3H3
InChIKeyVWTYZDMKFMFQIY-UHFFFAOYSA-N
XLogP0.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3,5-trimethyl-1,3-diazinane-2,4-dione (CID 535959) is 1,3,5-trimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3,5-trimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3,5-trimethyl-1,3-diazinane-2,4-dione is CC1CN(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3,5-trimethyl-1,3-diazinane-2,4-dione?
The InChIKey is VWTYZDMKFMFQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5-4-8(2)7(11)9(3)6(5)10/h5H,4H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-1,3-diazinane-2,4-dione?
1,3,5-trimethyl-1,3-diazinane-2,4-dione has a molecular weight of 156.18 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 535959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).