1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione

C13H16N2O2 — CID 15462407

IUPAC1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1cc(C)c(N2CCC(=O)NC2=O)c(C)c1
InChIInChI=1S/C13H16N2O2/c1-8-6-9(2)12(10(3)7-8)15-5-4-11(16)14-13(15)17/h6-7H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyRCLFMFBMUVHABI-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.06
Rot. Bonds1

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

1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 15462407) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione
PubChem CID15462407
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1cc(C)c(N2CCC(=O)NC2=O)c(C)c1
InChIInChI=1S/C13H16N2O2/c1-8-6-9(2)12(10(3)7-8)15-5-4-11(16)14-13(15)17/h6-7H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyRCLFMFBMUVHABI-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione (CID 15462407) is 1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione is Cc1cc(C)c(N2CCC(=O)NC2=O)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is RCLFMFBMUVHABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-6-9(2)12(10(3)7-8)15-5-4-11(16)14-13(15)17/h6-7H,4-5H2,1-3H3,(H,14,16,17).
What are the key properties of 1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione?
1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 232.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 15462407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).