3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea

C15H18N4O — CID 19979414

IUPAC3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea
SMILESCc1ccc(N(C(=O)NN)c2ccc(C)c(N)c2)cc1
InChIInChI=1S/C15H18N4O/c1-10-3-6-12(7-4-10)19(15(20)18-17)13-8-5-11(2)14(16)9-13/h3-9H,16-17H2,1-2H3,(H,18,20)
InChIKeyGGJMYCYMCRVNGH-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.61
Rot. Bonds2

About 3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea

3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea (PubChem CID 19979414) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea.

Molecular Properties

Compound Name3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea
PubChem CID19979414
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea
SMILESCc1ccc(N(C(=O)NN)c2ccc(C)c(N)c2)cc1
InChIInChI=1S/C15H18N4O/c1-10-3-6-12(7-4-10)19(15(20)18-17)13-8-5-11(2)14(16)9-13/h3-9H,16-17H2,1-2H3,(H,18,20)
InChIKeyGGJMYCYMCRVNGH-UHFFFAOYSA-N
XLogP2.61
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea?
The IUPAC name of 3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea (CID 19979414) is 3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea.
What is the SMILES notation for 3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea?
The canonical SMILES for 3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea is Cc1ccc(N(C(=O)NN)c2ccc(C)c(N)c2)cc1.
What is the InChIKey of 3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea?
The InChIKey is GGJMYCYMCRVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-3-6-12(7-4-10)19(15(20)18-17)13-8-5-11(2)14(16)9-13/h3-9H,16-17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea?
3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea has a molecular weight of 270.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-amino-4-methylphenyl)-1-(4-methylphenyl)urea is sourced from PubChem (CID 19979414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).