1,3-dimethylurea

C3H8N2O — CID 7293

IUPAC1,3-dimethylurea
SMILESCNC(=O)NC
InChIInChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKeyMGJKQDOBUOMPEZ-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.45
Rot. Bonds

About 1,3-dimethylurea

1,3-dimethylurea (PubChem CID 7293) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is 1,3-dimethylurea.

Molecular Properties

Compound Name1,3-dimethylurea
PubChem CID7293
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Name1,3-dimethylurea
SMILESCNC(=O)NC
InChIInChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKeyMGJKQDOBUOMPEZ-UHFFFAOYSA-N
XLogP-0.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethylurea
CID 163366790
carbanide;1,3-dimethylurea;ethane;yttrium
CID 158351244
1,3-dimethylurea;prop-1-ene
CID 160798014
1-methyl-3-silylurea
CID 174680275
1,3-dimethylurea;methane;S-methyl N-methylcarbamothioate
CID 162094080
1-methyl-3-methyliodanuidylurea
CID 147358367
1-(dimethylamino)-3-methylurea
CID 11819071
1-acetamido-3-methylurea
CID 22082406
bis(1,3-dimethylurea);toluene
CID 137356075
N,N'-di((113C)methyl)oxamide
CID 169438737
1-[amino-(methylcarbamoylamino)amino]-3-methylurea
CID 150752032
1-methyl-3-(3-methylbutan-2-yl)urea
CID 115575176

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylurea?
The IUPAC name of 1,3-dimethylurea (CID 7293) is 1,3-dimethylurea.
What is the SMILES notation for 1,3-dimethylurea?
The canonical SMILES for 1,3-dimethylurea is CNC(=O)NC.
What is the InChIKey of 1,3-dimethylurea?
The InChIKey is MGJKQDOBUOMPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6).
What are the key properties of 1,3-dimethylurea?
1,3-dimethylurea has a molecular weight of 88.11 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylurea is sourced from PubChem (CID 7293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).