2-(4-amino-3-cyanoanilino)ethylurea

C10H13N5O — CID 83115999

IUPAC2-(4-amino-3-cyanoanilino)ethylurea
SMILESN#Cc1cc(NCCNC(N)=O)ccc1N
InChIInChI=1S/C10H13N5O/c11-6-7-5-8(1-2-9(7)12)14-3-4-15-10(13)16/h1-2,5,14H,3-4,12H2,(H3,13,15,16)
InChIKeyWWCZMAJTIFOZOY-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.22
Rot. Bonds4

About 2-(4-amino-3-cyanoanilino)ethylurea

2-(4-amino-3-cyanoanilino)ethylurea (PubChem CID 83115999) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(4-amino-3-cyanoanilino)ethylurea.

Molecular Properties

Compound Name2-(4-amino-3-cyanoanilino)ethylurea
PubChem CID83115999
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-(4-amino-3-cyanoanilino)ethylurea
SMILESN#Cc1cc(NCCNC(N)=O)ccc1N
InChIInChI=1S/C10H13N5O/c11-6-7-5-8(1-2-9(7)12)14-3-4-15-10(13)16/h1-2,5,14H,3-4,12H2,(H3,13,15,16)
InChIKeyWWCZMAJTIFOZOY-UHFFFAOYSA-N
XLogP0.22
TPSA116.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-4-cyanoanilino)ethylurea
CID 83116890
5-(4-amino-3-cyanoanilino)pentanamide
CID 106234240
2-amino-5-(2-hydroxyethylamino)benzonitrile
CID 15827831
2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
2-(4-amino-3-cyanoanilino)-N-propylacetamide
CID 113323851
2-(2-amino-5-cyanoanilino)ethylurea
CID 104712227
2-amino-5-(2-cyclopropylethylamino)benzonitrile
CID 115499584
2-amino-5-(4-hydroxypentylamino)benzonitrile
CID 106119857
3-(3,4-dicyanoanilino)propanamide
CID 107789225
2-(2-cyanoanilino)ethylurea
CID 83111551
2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile
CID 106290007
2-(4-cyano-2,3-difluoroanilino)ethylurea
CID 107934087

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-cyanoanilino)ethylurea?
The IUPAC name of 2-(4-amino-3-cyanoanilino)ethylurea (CID 83115999) is 2-(4-amino-3-cyanoanilino)ethylurea.
What is the SMILES notation for 2-(4-amino-3-cyanoanilino)ethylurea?
The canonical SMILES for 2-(4-amino-3-cyanoanilino)ethylurea is N#Cc1cc(NCCNC(N)=O)ccc1N.
What is the InChIKey of 2-(4-amino-3-cyanoanilino)ethylurea?
The InChIKey is WWCZMAJTIFOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-6-7-5-8(1-2-9(7)12)14-3-4-15-10(13)16/h1-2,5,14H,3-4,12H2,(H3,13,15,16).
What are the key properties of 2-(4-amino-3-cyanoanilino)ethylurea?
2-(4-amino-3-cyanoanilino)ethylurea has a molecular weight of 219.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-cyanoanilino)ethylurea is sourced from PubChem (CID 83115999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).