1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea

C14H14BrN3O — CID 168974031

IUPAC1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2cccc(Br)n2)c1
InChIInChI=1S/C14H14BrN3O/c1-9-6-7-10(2)11(8-9)16-14(19)18-13-5-3-4-12(15)17-13/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyITAFLNYCBAMIHX-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.10
Rot. Bonds2

About 1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea

1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea (PubChem CID 168974031) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea
PubChem CID168974031
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2cccc(Br)n2)c1
InChIInChI=1S/C14H14BrN3O/c1-9-6-7-10(2)11(8-9)16-14(19)18-13-5-3-4-12(15)17-13/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyITAFLNYCBAMIHX-UHFFFAOYSA-N
XLogP4.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)-3-pyridazin-3-ylurea
CID 86818398
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 43520349
N-(2,5-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239438
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
CID 35591898
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
CID 61193250
1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea
CID 166636712
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea (CID 168974031) is 1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea is Cc1ccc(C)c(NC(=O)Nc2cccc(Br)n2)c1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea?
The InChIKey is ITAFLNYCBAMIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-6-7-10(2)11(8-9)16-14(19)18-13-5-3-4-12(15)17-13/h3-8H,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea?
1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea has a molecular weight of 320.19 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea is sourced from PubChem (CID 168974031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).