2-(2-amino-6-methylanilino)ethylurea

C10H16N4O — CID 83116633

IUPAC2-(2-amino-6-methylanilino)ethylurea
SMILESCc1cccc(N)c1NCCNC(N)=O
InChIInChI=1S/C10H16N4O/c1-7-3-2-4-8(11)9(7)13-5-6-14-10(12)15/h2-4,13H,5-6,11H2,1H3,(H3,12,14,15)
InChIKeyUAODOBANYUIHSF-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.66
Rot. Bonds4

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

2-(2-amino-6-methylanilino)ethylurea (PubChem CID 83116633) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-amino-6-methylanilino)ethylurea.

Molecular Properties

Compound Name2-(2-amino-6-methylanilino)ethylurea
PubChem CID83116633
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(2-amino-6-methylanilino)ethylurea
SMILESCc1cccc(N)c1NCCNC(N)=O
InChIInChI=1S/C10H16N4O/c1-7-3-2-4-8(11)9(7)13-5-6-14-10(12)15/h2-4,13H,5-6,11H2,1H3,(H3,12,14,15)
InChIKeyUAODOBANYUIHSF-UHFFFAOYSA-N
XLogP0.66
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-(2-cyano-6-methylanilino)ethylurea
CID 107107166
butylurea;2-methylaniline
CID 175391906
2-(2-amino-6-methylanilino)-N-tert-butylacetamide
CID 115550766
2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine
CID 115550147
ethyl 2-(2-acetamidoethylamino)-3-aminobenzoate
CID 112578138
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
2-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbenzene-1,2-diamine
CID 113333660
3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611
tert-butyl N-[2-(2-amino-6-chloroanilino)ethyl]carbamate
CID 114518019
2-N-[2-(azepan-1-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 113333701
1-(2-amino-6-methylanilino)-2-methylbutan-2-ol
CID 115550619
3-(2,6-dimethylphenoxy)propylurea
CID 119091227

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylanilino)ethylurea?
The IUPAC name of 2-(2-amino-6-methylanilino)ethylurea (CID 83116633) is 2-(2-amino-6-methylanilino)ethylurea.
What is the SMILES notation for 2-(2-amino-6-methylanilino)ethylurea?
The canonical SMILES for 2-(2-amino-6-methylanilino)ethylurea is Cc1cccc(N)c1NCCNC(N)=O.
What is the InChIKey of 2-(2-amino-6-methylanilino)ethylurea?
The InChIKey is UAODOBANYUIHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-3-2-4-8(11)9(7)13-5-6-14-10(12)15/h2-4,13H,5-6,11H2,1H3,(H3,12,14,15).
What are the key properties of 2-(2-amino-6-methylanilino)ethylurea?
2-(2-amino-6-methylanilino)ethylurea has a molecular weight of 208.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylanilino)ethylurea is sourced from PubChem (CID 83116633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).