1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione

C12H14N2O2 — CID 14529778

IUPAC1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1ccc(N2CCC(=O)NC2=O)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-8-3-4-10(9(2)7-8)14-6-5-11(15)13-12(14)16/h3-4,7H,5-6H2,1-2H3,(H,13,15,16)
InChIKeyNAWIQBAIDIYLNF-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.75
Rot. Bonds1

About 1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione

1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 14529778) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione
PubChem CID14529778
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1ccc(N2CCC(=O)NC2=O)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-8-3-4-10(9(2)7-8)14-6-5-11(15)13-12(14)16/h3-4,7H,5-6H2,1-2H3,(H,13,15,16)
InChIKeyNAWIQBAIDIYLNF-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione (CID 14529778) is 1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione is Cc1ccc(N2CCC(=O)NC2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is NAWIQBAIDIYLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-3-4-10(9(2)7-8)14-6-5-11(15)13-12(14)16/h3-4,7H,5-6H2,1-2H3,(H,13,15,16).
What are the key properties of 1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione?
1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 218.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 14529778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).