1,3-dimethylurea

C9H24N6O3 — CID 163366790

IUPAC1,3-dimethylurea
SMILESCNC(=O)NC.CNC(=O)NC.CNC(=O)NC
InChIInChI=1S/3C3H8N2O/c3*1-4-3(6)5-2/h3*1-2H3,(H2,4,5,6)
InChIKeySSICYYDZPAIJDL-UHFFFAOYSA-N
MW264.33 g/mol
LogP-1.36
Rot. Bonds

About 1,3-dimethylurea

1,3-dimethylurea (PubChem CID 163366790) has the molecular formula C9H24N6O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1,3-dimethylurea.

Molecular Properties

Compound Name1,3-dimethylurea
PubChem CID163366790
Molecular FormulaC9H24N6O3
Molecular Weight264.33 g/mol
Exact Mass264.19
IUPAC Name1,3-dimethylurea
SMILESCNC(=O)NC.CNC(=O)NC.CNC(=O)NC
InChIInChI=1S/3C3H8N2O/c3*1-4-3(6)5-2/h3*1-2H3,(H2,4,5,6)
InChIKeySSICYYDZPAIJDL-UHFFFAOYSA-N
XLogP-1.36
TPSA123.39 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.33
LogP ≤ 5-1.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethylurea 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 1,3-dimethylurea?
The IUPAC name of 1,3-dimethylurea (CID 163366790) is 1,3-dimethylurea.
What is the SMILES notation for 1,3-dimethylurea?
The canonical SMILES for 1,3-dimethylurea is CNC(=O)NC.CNC(=O)NC.CNC(=O)NC.
What is the InChIKey of 1,3-dimethylurea?
The InChIKey is SSICYYDZPAIJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H8N2O/c3*1-4-3(6)5-2/h3*1-2H3,(H2,4,5,6).
What are the key properties of 1,3-dimethylurea?
1,3-dimethylurea has a molecular weight of 264.33 g/mol, XLogP of -1.36, 0 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylurea is sourced from PubChem (CID 163366790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).