2-(2-cyano-6-methylanilino)ethylurea

C11H14N4O — CID 107107166

IUPAC2-(2-cyano-6-methylanilino)ethylurea
SMILESCc1cccc(C#N)c1NCCNC(N)=O
InChIInChI=1S/C11H14N4O/c1-8-3-2-4-9(7-12)10(8)14-5-6-15-11(13)16/h2-4,14H,5-6H2,1H3,(H3,13,15,16)
InChIKeySKHVRUNZQGHNTB-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.95
Rot. Bonds4

About 2-(2-cyano-6-methylanilino)ethylurea

2-(2-cyano-6-methylanilino)ethylurea (PubChem CID 107107166) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-cyano-6-methylanilino)ethylurea.

Molecular Properties

Compound Name2-(2-cyano-6-methylanilino)ethylurea
PubChem CID107107166
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(2-cyano-6-methylanilino)ethylurea
SMILESCc1cccc(C#N)c1NCCNC(N)=O
InChIInChI=1S/C11H14N4O/c1-8-3-2-4-9(7-12)10(8)14-5-6-15-11(13)16/h2-4,14H,5-6H2,1H3,(H3,13,15,16)
InChIKeySKHVRUNZQGHNTB-UHFFFAOYSA-N
XLogP0.95
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-methylanilino)ethylurea
CID 83116633
2-(2-cyanoanilino)ethylurea
CID 83111551
ethyl 2-(2-cyano-6-methylanilino)acetate
CID 107106524
2-(3,3-dimethylbutylamino)-3-methylbenzonitrile
CID 107107286
3-(2-cyano-6-methylanilino)-3-methylbutanamide
CID 106096700
methyl 6-(2-cyano-6-methylanilino)hexanoate
CID 107111714
N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide
CID 107107106
2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbenzonitrile
CID 107111136
2-[3-(ethylamino)propylamino]-3-methylbenzonitrile
CID 107111346
3-methyl-2-(2-propan-2-yloxyethylamino)benzonitrile
CID 107107221
2-(hex-5-ynylamino)-3-methylbenzonitrile
CID 106213521
2-(3-ethoxypropylamino)-3-methylbenzonitrile
CID 107106379

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-6-methylanilino)ethylurea?
The IUPAC name of 2-(2-cyano-6-methylanilino)ethylurea (CID 107107166) is 2-(2-cyano-6-methylanilino)ethylurea.
What is the SMILES notation for 2-(2-cyano-6-methylanilino)ethylurea?
The canonical SMILES for 2-(2-cyano-6-methylanilino)ethylurea is Cc1cccc(C#N)c1NCCNC(N)=O.
What is the InChIKey of 2-(2-cyano-6-methylanilino)ethylurea?
The InChIKey is SKHVRUNZQGHNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-3-2-4-9(7-12)10(8)14-5-6-15-11(13)16/h2-4,14H,5-6H2,1H3,(H3,13,15,16).
What are the key properties of 2-(2-cyano-6-methylanilino)ethylurea?
2-(2-cyano-6-methylanilino)ethylurea has a molecular weight of 218.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-6-methylanilino)ethylurea is sourced from PubChem (CID 107107166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).