1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea

C11H8BrIN4O — CID 108869101

IUPAC1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea
SMILESO=C(Nc1ncc(Br)cn1)Nc1ccccc1I
InChIInChI=1S/C11H8BrIN4O/c12-7-5-14-10(15-6-7)17-11(18)16-9-4-2-1-3-8(9)13/h1-6H,(H2,14,15,16,17,18)
InChIKeyDGRNUBCZHMDETR-UHFFFAOYSA-N
MW419.02 g/mol
LogP3.49
Rot. Bonds2

About 1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea

1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea (PubChem CID 108869101) has the molecular formula C11H8BrIN4O and a molecular weight of 419.02 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea
PubChem CID108869101
Molecular FormulaC11H8BrIN4O
Molecular Weight419.02 g/mol
Exact Mass417.89
IUPAC Name1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea
SMILESO=C(Nc1ncc(Br)cn1)Nc1ccccc1I
InChIInChI=1S/C11H8BrIN4O/c12-7-5-14-10(15-6-7)17-11(18)16-9-4-2-1-3-8(9)13/h1-6H,(H2,14,15,16,17,18)
InChIKeyDGRNUBCZHMDETR-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.02
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea
CID 108871638
1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
CID 108869034
1-(2-iodophenyl)-3-pyridin-4-ylurea
CID 3370542
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
1-(2-cyanophenyl)-3-(2-iodophenyl)urea
CID 108868891
1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897456
1-(2-methylphenyl)-3-pyrimidin-2-ylurea
CID 6477188
N-(5-bromo-2-pyridinyl)-2-iodobenzamide
CID 17019973
(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
CID 38886412
5-[[(2-iodophenyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090851
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea (CID 108869101) is 1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea is O=C(Nc1ncc(Br)cn1)Nc1ccccc1I.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea?
The InChIKey is DGRNUBCZHMDETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrIN4O/c12-7-5-14-10(15-6-7)17-11(18)16-9-4-2-1-3-8(9)13/h1-6H,(H2,14,15,16,17,18).
What are the key properties of 1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea?
1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea has a molecular weight of 419.02 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea is sourced from PubChem (CID 108869101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).