dimethoxyphosphorylurea

C3H9N2O4P — CID 4123295

IUPACdimethoxyphosphorylurea
SMILESCOP(=O)(NC(N)=O)OC
InChIInChI=1S/C3H9N2O4P/c1-8-10(7,9-2)5-3(4)6/h1-2H3,(H3,4,5,6,7)
InChIKeyFXHWJKMUMNGYEN-UHFFFAOYSA-N
MW168.09 g/mol
LogP0.06
Rot. Bonds3

About dimethoxyphosphorylurea

dimethoxyphosphorylurea (PubChem CID 4123295) has the molecular formula C3H9N2O4P and a molecular weight of 168.09 g/mol. Its IUPAC name is dimethoxyphosphorylurea.

Molecular Properties

Compound Namedimethoxyphosphorylurea
PubChem CID4123295
Molecular FormulaC3H9N2O4P
Molecular Weight168.09 g/mol
Exact Mass168.03
IUPAC Namedimethoxyphosphorylurea
SMILESCOP(=O)(NC(N)=O)OC
InChIInChI=1S/C3H9N2O4P/c1-8-10(7,9-2)5-3(4)6/h1-2H3,(H3,4,5,6,7)
InChIKeyFXHWJKMUMNGYEN-UHFFFAOYSA-N
XLogP0.06
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.09
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphorylurea?
The IUPAC name of dimethoxyphosphorylurea (CID 4123295) is dimethoxyphosphorylurea.
What is the SMILES notation for dimethoxyphosphorylurea?
The canonical SMILES for dimethoxyphosphorylurea is COP(=O)(NC(N)=O)OC.
What is the InChIKey of dimethoxyphosphorylurea?
The InChIKey is FXHWJKMUMNGYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O4P/c1-8-10(7,9-2)5-3(4)6/h1-2H3,(H3,4,5,6,7).
What are the key properties of dimethoxyphosphorylurea?
dimethoxyphosphorylurea has a molecular weight of 168.09 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphorylurea is sourced from PubChem (CID 4123295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).