(dimethylamino)methylurea

C4H11N3O — CID 54497258

IUPAC(dimethylamino)methylurea
SMILESCN(C)CNC(N)=O
InChIInChI=1S/C4H11N3O/c1-7(2)3-6-4(5)8/h3H2,1-2H3,(H3,5,6,8)
InChIKeyXCMZKFCNWDLSOW-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.83
Rot. Bonds2

About (dimethylamino)methylurea

(dimethylamino)methylurea (PubChem CID 54497258) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is (dimethylamino)methylurea.

Molecular Properties

Compound Name(dimethylamino)methylurea
PubChem CID54497258
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name(dimethylamino)methylurea
SMILESCN(C)CNC(N)=O
InChIInChI=1S/C4H11N3O/c1-7(2)3-6-4(5)8/h3H2,1-2H3,(H3,5,6,8)
InChIKeyXCMZKFCNWDLSOW-UHFFFAOYSA-N
XLogP-0.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methylurea?
The IUPAC name of (dimethylamino)methylurea (CID 54497258) is (dimethylamino)methylurea.
What is the SMILES notation for (dimethylamino)methylurea?
The canonical SMILES for (dimethylamino)methylurea is CN(C)CNC(N)=O.
What is the InChIKey of (dimethylamino)methylurea?
The InChIKey is XCMZKFCNWDLSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-7(2)3-6-4(5)8/h3H2,1-2H3,(H3,5,6,8).
What are the key properties of (dimethylamino)methylurea?
(dimethylamino)methylurea has a molecular weight of 117.15 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methylurea is sourced from PubChem (CID 54497258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).