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

C5H8N2O2 — CID 6951747

IUPAC(6S)-6-methyl-1,3-diazinane-2,4-dione
SMILESC[C@H]1CC(=O)NC(=O)N1
InChIInChI=1S/C5H8N2O2/c1-3-2-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1
InChIKeyXQLIRTZXJDEQAO-VKHMYHEASA-N
MW128.13 g/mol
LogP-0.40
Rot. Bonds

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

(6S)-6-methyl-1,3-diazinane-2,4-dione (PubChem CID 6951747) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is (6S)-6-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6S)-6-methyl-1,3-diazinane-2,4-dione
PubChem CID6951747
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name(6S)-6-methyl-1,3-diazinane-2,4-dione
SMILESC[C@H]1CC(=O)NC(=O)N1
InChIInChI=1S/C5H8N2O2/c1-3-2-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1
InChIKeyXQLIRTZXJDEQAO-VKHMYHEASA-N
XLogP-0.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6S)-6-methyl-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of (6S)-6-methyl-1,3-diazinane-2,4-dione (CID 6951747) is (6S)-6-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6S)-6-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (6S)-6-methyl-1,3-diazinane-2,4-dione is C[C@H]1CC(=O)NC(=O)N1.
What is the InChIKey of (6S)-6-methyl-1,3-diazinane-2,4-dione?
The InChIKey is XQLIRTZXJDEQAO-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3-2-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1.
What are the key properties of (6S)-6-methyl-1,3-diazinane-2,4-dione?
(6S)-6-methyl-1,3-diazinane-2,4-dione has a molecular weight of 128.13 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 6951747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).