2-(2-amino-5-cyanoanilino)ethylurea

C10H13N5O — CID 104712227

IUPAC2-(2-amino-5-cyanoanilino)ethylurea
SMILESN#Cc1ccc(N)c(NCCNC(N)=O)c1
InChIInChI=1S/C10H13N5O/c11-6-7-1-2-8(12)9(5-7)14-3-4-15-10(13)16/h1-2,5,14H,3-4,12H2,(H3,13,15,16)
InChIKeySBQLKTXQQSRRJH-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.22
Rot. Bonds4

About 2-(2-amino-5-cyanoanilino)ethylurea

2-(2-amino-5-cyanoanilino)ethylurea (PubChem CID 104712227) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(2-amino-5-cyanoanilino)ethylurea.

Molecular Properties

Compound Name2-(2-amino-5-cyanoanilino)ethylurea
PubChem CID104712227
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-(2-amino-5-cyanoanilino)ethylurea
SMILESN#Cc1ccc(N)c(NCCNC(N)=O)c1
InChIInChI=1S/C10H13N5O/c11-6-7-1-2-8(12)9(5-7)14-3-4-15-10(13)16/h1-2,5,14H,3-4,12H2,(H3,13,15,16)
InChIKeySBQLKTXQQSRRJH-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

4-amino-3-(3-hydroxybutylamino)benzonitrile
CID 104712041
2-(4-amino-3-cyanoanilino)ethylurea
CID 83115999
2-(2-amino-5-methoxyanilino)ethylurea
CID 83116899
4-amino-3-[2-(4-hydroxyphenyl)ethylamino]benzonitrile
CID 104711613
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-3-(4-hydroxypentylamino)benzonitrile
CID 106119787
2-(2-cyanoanilino)ethylurea
CID 83111551
2-(3-amino-4-cyanoanilino)ethylurea
CID 83116890
4-amino-3-[(3-morpholin-4-yl-3-oxopropyl)amino]benzonitrile
CID 104712293
5-(2-amino-4-cyanoanilino)pentanamide
CID 106234043
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
(2S)-2-amino-2-[(2-amino-5-cyanoanilino)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 90220259

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-cyanoanilino)ethylurea?
The IUPAC name of 2-(2-amino-5-cyanoanilino)ethylurea (CID 104712227) is 2-(2-amino-5-cyanoanilino)ethylurea.
What is the SMILES notation for 2-(2-amino-5-cyanoanilino)ethylurea?
The canonical SMILES for 2-(2-amino-5-cyanoanilino)ethylurea is N#Cc1ccc(N)c(NCCNC(N)=O)c1.
What is the InChIKey of 2-(2-amino-5-cyanoanilino)ethylurea?
The InChIKey is SBQLKTXQQSRRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-6-7-1-2-8(12)9(5-7)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-(2-amino-5-cyanoanilino)ethylurea?
2-(2-amino-5-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-(2-amino-5-cyanoanilino)ethylurea is sourced from PubChem (CID 104712227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).