2-(diaminomethylideneamino)ethylurea

C4H11N5O — CID 83120886

IUPAC2-(diaminomethylideneamino)ethylurea
SMILESNC(=O)NCCN=C(N)N
InChIInChI=1S/C4H11N5O/c5-3(6)8-1-2-9-4(7)10/h1-2H2,(H4,5,6,8)(H3,7,9,10)
InChIKeyLPWDGWBGLCSNBJ-UHFFFAOYSA-N
MW145.17 g/mol
LogP-2.07
Rot. Bonds3

About 2-(diaminomethylideneamino)ethylurea

2-(diaminomethylideneamino)ethylurea (PubChem CID 83120886) has the molecular formula C4H11N5O and a molecular weight of 145.17 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)ethylurea.

Molecular Properties

Compound Name2-(diaminomethylideneamino)ethylurea
PubChem CID83120886
Molecular FormulaC4H11N5O
Molecular Weight145.17 g/mol
Exact Mass145.10
IUPAC Name2-(diaminomethylideneamino)ethylurea
SMILESNC(=O)NCCN=C(N)N
InChIInChI=1S/C4H11N5O/c5-3(6)8-1-2-9-4(7)10/h1-2H2,(H4,5,6,8)(H3,7,9,10)
InChIKeyLPWDGWBGLCSNBJ-UHFFFAOYSA-N
XLogP-2.07
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.17
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)ethylurea?
The IUPAC name of 2-(diaminomethylideneamino)ethylurea (CID 83120886) is 2-(diaminomethylideneamino)ethylurea.
What is the SMILES notation for 2-(diaminomethylideneamino)ethylurea?
The canonical SMILES for 2-(diaminomethylideneamino)ethylurea is NC(=O)NCCN=C(N)N.
What is the InChIKey of 2-(diaminomethylideneamino)ethylurea?
The InChIKey is LPWDGWBGLCSNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5O/c5-3(6)8-1-2-9-4(7)10/h1-2H2,(H4,5,6,8)(H3,7,9,10).
What are the key properties of 2-(diaminomethylideneamino)ethylurea?
2-(diaminomethylideneamino)ethylurea has a molecular weight of 145.17 g/mol, XLogP of -2.07, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)ethylurea is sourced from PubChem (CID 83120886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).