3-amino-1-(2,5-dimethylphenyl)-1-methylurea

C10H15N3O — CID 115192449

IUPAC3-amino-1-(2,5-dimethylphenyl)-1-methylurea
SMILESCc1ccc(C)c(N(C)C(=O)NN)c1
InChIInChI=1S/C10H15N3O/c1-7-4-5-8(2)9(6-7)13(3)10(14)12-11/h4-6H,11H2,1-3H3,(H,12,14)
InChIKeyDOXLXXYDAYLMOO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.32
Rot. Bonds1

About 3-amino-1-(2,5-dimethylphenyl)-1-methylurea

3-amino-1-(2,5-dimethylphenyl)-1-methylurea (PubChem CID 115192449) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-amino-1-(2,5-dimethylphenyl)-1-methylurea.

Molecular Properties

Compound Name3-amino-1-(2,5-dimethylphenyl)-1-methylurea
PubChem CID115192449
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-amino-1-(2,5-dimethylphenyl)-1-methylurea
SMILESCc1ccc(C)c(N(C)C(=O)NN)c1
InChIInChI=1S/C10H15N3O/c1-7-4-5-8(2)9(6-7)13(3)10(14)12-11/h4-6H,11H2,1-3H3,(H,12,14)
InChIKeyDOXLXXYDAYLMOO-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-methyl-1-(6-methylnaphthalen-2-yl)urea
CID 115192582
1-[(2,5-dimethylphenyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181848
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide
CID 115161228
4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
CID 115157531
N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188789
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
CID 115169063
3-amino-1-(5-chloro-2-fluorophenyl)-1-methylurea
CID 115192535
N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
CID 50891614
N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187668
methyl 2-[(N,2,5-trimethylanilino)methyl]butanoate
CID 115253052

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dimethylphenyl)-1-methylurea?
The IUPAC name of 3-amino-1-(2,5-dimethylphenyl)-1-methylurea (CID 115192449) is 3-amino-1-(2,5-dimethylphenyl)-1-methylurea.
What is the SMILES notation for 3-amino-1-(2,5-dimethylphenyl)-1-methylurea?
The canonical SMILES for 3-amino-1-(2,5-dimethylphenyl)-1-methylurea is Cc1ccc(C)c(N(C)C(=O)NN)c1.
What is the InChIKey of 3-amino-1-(2,5-dimethylphenyl)-1-methylurea?
The InChIKey is DOXLXXYDAYLMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-4-5-8(2)9(6-7)13(3)10(14)12-11/h4-6H,11H2,1-3H3,(H,12,14).
What are the key properties of 3-amino-1-(2,5-dimethylphenyl)-1-methylurea?
3-amino-1-(2,5-dimethylphenyl)-1-methylurea has a molecular weight of 193.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dimethylphenyl)-1-methylurea is sourced from PubChem (CID 115192449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).