1,3-diamino-1-(2-oxopropyl)urea

C4H10N4O2 — CID 90868954

IUPAC1,3-diamino-1-(2-oxopropyl)urea
SMILESCC(=O)CN(N)C(=O)NN
InChIInChI=1S/C4H10N4O2/c1-3(9)2-8(6)4(10)7-5/h2,5-6H2,1H3,(H,7,10)
InChIKeyNWZWXEDXVKVHIH-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.67
Rot. Bonds2

About 1,3-diamino-1-(2-oxopropyl)urea

1,3-diamino-1-(2-oxopropyl)urea (PubChem CID 90868954) has the molecular formula C4H10N4O2 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1,3-diamino-1-(2-oxopropyl)urea.

Molecular Properties

Compound Name1,3-diamino-1-(2-oxopropyl)urea
PubChem CID90868954
Molecular FormulaC4H10N4O2
Molecular Weight146.15 g/mol
Exact Mass146.08
IUPAC Name1,3-diamino-1-(2-oxopropyl)urea
SMILESCC(=O)CN(N)C(=O)NN
InChIInChI=1S/C4H10N4O2/c1-3(9)2-8(6)4(10)7-5/h2,5-6H2,1H3,(H,7,10)
InChIKeyNWZWXEDXVKVHIH-UHFFFAOYSA-N
XLogP-1.67
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-diamino-1-(2-oxopropyl)urea 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-diamino-1-(2-oxopropyl)urea?
The IUPAC name of 1,3-diamino-1-(2-oxopropyl)urea (CID 90868954) is 1,3-diamino-1-(2-oxopropyl)urea.
What is the SMILES notation for 1,3-diamino-1-(2-oxopropyl)urea?
The canonical SMILES for 1,3-diamino-1-(2-oxopropyl)urea is CC(=O)CN(N)C(=O)NN.
What is the InChIKey of 1,3-diamino-1-(2-oxopropyl)urea?
The InChIKey is NWZWXEDXVKVHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2/c1-3(9)2-8(6)4(10)7-5/h2,5-6H2,1H3,(H,7,10).
What are the key properties of 1,3-diamino-1-(2-oxopropyl)urea?
1,3-diamino-1-(2-oxopropyl)urea has a molecular weight of 146.15 g/mol, XLogP of -1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1-(2-oxopropyl)urea is sourced from PubChem (CID 90868954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).