1-(2-bromo-4-pyridinyl)-3-cyclobutylurea

C10H12BrN3O — CID 130682535

IUPAC1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
SMILESO=C(Nc1ccnc(Br)c1)NC1CCC1
InChIInChI=1S/C10H12BrN3O/c11-9-6-8(4-5-12-9)14-10(15)13-7-2-1-3-7/h4-7H,1-3H2,(H2,12,13,14,15)
InChIKeyDGOLKBCGIPWYKI-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.52
Rot. Bonds2

About 1-(2-bromo-4-pyridinyl)-3-cyclobutylurea

1-(2-bromo-4-pyridinyl)-3-cyclobutylurea (PubChem CID 130682535) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(2-bromo-4-pyridinyl)-3-cyclobutylurea.

Molecular Properties

Compound Name1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
PubChem CID130682535
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
SMILESO=C(Nc1ccnc(Br)c1)NC1CCC1
InChIInChI=1S/C10H12BrN3O/c11-9-6-8(4-5-12-9)14-10(15)13-7-2-1-3-7/h4-7H,1-3H2,(H2,12,13,14,15)
InChIKeyDGOLKBCGIPWYKI-UHFFFAOYSA-N
XLogP2.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.52
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-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236
1-(4-amino-3-bromophenyl)-3-cyclobutylurea
CID 116653685
1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
CID 108902777
1-(2-bromo-4-pyridinyl)-3-ethylurea
CID 130673791
1-(4-bromo-3,5-dimethylphenyl)-3-cyclobutylurea
CID 103582018
2-bromo-N-cyclopentylpyridin-4-amine
CID 131003214
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088413
1-(4-bromo-3-nitrophenyl)-3-cyclohexylurea
CID 115766145
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
CID 103616431

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-pyridinyl)-3-cyclobutylurea?
The IUPAC name of 1-(2-bromo-4-pyridinyl)-3-cyclobutylurea (CID 130682535) is 1-(2-bromo-4-pyridinyl)-3-cyclobutylurea.
What is the SMILES notation for 1-(2-bromo-4-pyridinyl)-3-cyclobutylurea?
The canonical SMILES for 1-(2-bromo-4-pyridinyl)-3-cyclobutylurea is O=C(Nc1ccnc(Br)c1)NC1CCC1.
What is the InChIKey of 1-(2-bromo-4-pyridinyl)-3-cyclobutylurea?
The InChIKey is DGOLKBCGIPWYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c11-9-6-8(4-5-12-9)14-10(15)13-7-2-1-3-7/h4-7H,1-3H2,(H2,12,13,14,15).
What are the key properties of 1-(2-bromo-4-pyridinyl)-3-cyclobutylurea?
1-(2-bromo-4-pyridinyl)-3-cyclobutylurea has a molecular weight of 270.13 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-pyridinyl)-3-cyclobutylurea is sourced from PubChem (CID 130682535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).