1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea

C14H16N4O — CID 108897070

IUPAC1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
SMILESCc1ccc(N)c(NC(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C14H16N4O/c1-9-2-7-12(16)13(8-9)18-14(19)17-11-5-3-10(15)4-6-11/h2-8H,15-16H2,1H3,(H2,17,18,19)
InChIKeySZJPHOWFZXEDBC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea

1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea (PubChem CID 108897070) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
PubChem CID108897070
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
SMILESCc1ccc(N)c(NC(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C14H16N4O/c1-9-2-7-12(16)13(8-9)18-14(19)17-11-5-3-10(15)4-6-11/h2-8H,15-16H2,1H3,(H2,17,18,19)
InChIKeySZJPHOWFZXEDBC-UHFFFAOYSA-N
XLogP2.80
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875405
1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 43469069
N'-(2-amino-5-methylphenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502143
1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
CID 112557564
1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
CID 43551396
2-N-(4-aminophenyl)-4-methylbenzene-1,2-diamine;dihydrochloride
CID 70626485
1-(2-amino-5-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892628
N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
CID 108529851
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502699
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea?
The IUPAC name of 1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea (CID 108897070) is 1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea is Cc1ccc(N)c(NC(=O)Nc2ccc(N)cc2)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea?
The InChIKey is SZJPHOWFZXEDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-2-7-12(16)13(8-9)18-14(19)17-11-5-3-10(15)4-6-11/h2-8H,15-16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea?
1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea has a molecular weight of 256.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea is sourced from PubChem (CID 108897070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).