(5S)-5-methyl-1,3-diazinane-2,4-dione

C5H8N2O2 — CID 676414

IUPAC(5S)-5-methyl-1,3-diazinane-2,4-dione
SMILESC[C@H]1CNC(=O)NC1=O
InChIInChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1
InChIKeyNBAKTGXDIBVZOO-VKHMYHEASA-N
MW128.13 g/mol
LogP-0.54
Rot. Bonds

About (5S)-5-methyl-1,3-diazinane-2,4-dione

(5S)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 676414) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is (5S)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID676414
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name(5S)-5-methyl-1,3-diazinane-2,4-dione
SMILESC[C@H]1CNC(=O)NC1=O
InChIInChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1
InChIKeyNBAKTGXDIBVZOO-VKHMYHEASA-N
XLogP-0.54
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 ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of (5S)-5-methyl-1,3-diazinane-2,4-dione (CID 676414) is (5S)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (5S)-5-methyl-1,3-diazinane-2,4-dione is C[C@H]1CNC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is NBAKTGXDIBVZOO-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1.
What are the key properties of (5S)-5-methyl-1,3-diazinane-2,4-dione?
(5S)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 128.13 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 676414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).