2-(2-amino-5-methoxyanilino)ethylurea

C10H16N4O2 — CID 83116899

IUPAC2-(2-amino-5-methoxyanilino)ethylurea
SMILESCOc1ccc(N)c(NCCNC(N)=O)c1
InChIInChI=1S/C10H16N4O2/c1-16-7-2-3-8(11)9(6-7)13-4-5-14-10(12)15/h2-3,6,13H,4-5,11H2,1H3,(H3,12,14,15)
InChIKeyRLXBJJQBPAMYKJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.36
Rot. Bonds5

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

2-(2-amino-5-methoxyanilino)ethylurea (PubChem CID 83116899) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyanilino)ethylurea.

Molecular Properties

Compound Name2-(2-amino-5-methoxyanilino)ethylurea
PubChem CID83116899
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(2-amino-5-methoxyanilino)ethylurea
SMILESCOc1ccc(N)c(NCCNC(N)=O)c1
InChIInChI=1S/C10H16N4O2/c1-16-7-2-3-8(11)9(6-7)13-4-5-14-10(12)15/h2-3,6,13H,4-5,11H2,1H3,(H3,12,14,15)
InChIKeyRLXBJJQBPAMYKJ-UHFFFAOYSA-N
XLogP0.36
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.36
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-(2-amino-5-methoxyanilino)ethyl carbamate
CID 83202729
2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
CID 114110496
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
2-(2-amino-5-cyanoanilino)ethylurea
CID 104712227
4-methoxy-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515270
1-(2-amino-5-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250963
2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
CID 113405856
2-N-(2,2-dimethylbutyl)-4-methoxybenzene-1,2-diamine
CID 103460178
2-(2-amino-5-bromo-4-fluoroanilino)ethylurea
CID 116736207
3-(2-acetamidoethylamino)-4-aminobenzamide
CID 63356051
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea
CID 83116533
2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyanilino)ethylurea?
The IUPAC name of 2-(2-amino-5-methoxyanilino)ethylurea (CID 83116899) is 2-(2-amino-5-methoxyanilino)ethylurea.
What is the SMILES notation for 2-(2-amino-5-methoxyanilino)ethylurea?
The canonical SMILES for 2-(2-amino-5-methoxyanilino)ethylurea is COc1ccc(N)c(NCCNC(N)=O)c1.
What is the InChIKey of 2-(2-amino-5-methoxyanilino)ethylurea?
The InChIKey is RLXBJJQBPAMYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-16-7-2-3-8(11)9(6-7)13-4-5-14-10(12)15/h2-3,6,13H,4-5,11H2,1H3,(H3,12,14,15).
What are the key properties of 2-(2-amino-5-methoxyanilino)ethylurea?
2-(2-amino-5-methoxyanilino)ethylurea has a molecular weight of 224.26 g/mol, XLogP of 0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyanilino)ethylurea is sourced from PubChem (CID 83116899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).