bis(1,3-dimethylurea);toluene

C13H24N4O2 — CID 137356075

IUPACbis(1,3-dimethylurea);toluene
SMILESCNC(=O)NC.CNC(=O)NC.Cc1ccccc1
InChIInChI=1S/C7H8.2C3H8N2O/c1-7-5-3-2-4-6-7;2*1-4-3(6)5-2/h2-6H,1H3;2*1-2H3,(H2,4,5,6)
InChIKeyZSQNWXGSUBTAJV-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds

About bis(1,3-dimethylurea);toluene

bis(1,3-dimethylurea);toluene (PubChem CID 137356075) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is bis(1,3-dimethylurea);toluene.

Molecular Properties

Compound Namebis(1,3-dimethylurea);toluene
PubChem CID137356075
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Namebis(1,3-dimethylurea);toluene
SMILESCNC(=O)NC.CNC(=O)NC.Cc1ccccc1
InChIInChI=1S/C7H8.2C3H8N2O/c1-7-5-3-2-4-6-7;2*1-4-3(6)5-2/h2-6H,1H3;2*1-2H3,(H2,4,5,6)
InChIKeyZSQNWXGSUBTAJV-UHFFFAOYSA-N
XLogP1.09
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1,3-dimethylurea);toluene?
The IUPAC name of bis(1,3-dimethylurea);toluene (CID 137356075) is bis(1,3-dimethylurea);toluene.
What is the SMILES notation for bis(1,3-dimethylurea);toluene?
The canonical SMILES for bis(1,3-dimethylurea);toluene is CNC(=O)NC.CNC(=O)NC.Cc1ccccc1.
What is the InChIKey of bis(1,3-dimethylurea);toluene?
The InChIKey is ZSQNWXGSUBTAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C3H8N2O/c1-7-5-3-2-4-6-7;2*1-4-3(6)5-2/h2-6H,1H3;2*1-2H3,(H2,4,5,6).
What are the key properties of bis(1,3-dimethylurea);toluene?
bis(1,3-dimethylurea);toluene has a molecular weight of 268.36 g/mol, XLogP of 1.09, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dimethylurea);toluene is sourced from PubChem (CID 137356075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).