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

C11H9BrN4O2 — CID 108871638

IUPAC1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea
SMILESO=C(Nc1ncc(Br)cn1)Nc1ccccc1O
InChIInChI=1S/C11H9BrN4O2/c12-7-5-13-10(14-6-7)16-11(18)15-8-3-1-2-4-9(8)17/h1-6,17H,(H2,13,14,15,16,18)
InChIKeyPFBQUMAQZCDCAT-UHFFFAOYSA-N
MW309.12 g/mol
LogP2.59
Rot. Bonds2

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

1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea (PubChem CID 108871638) has the molecular formula C11H9BrN4O2 and a molecular weight of 309.12 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea
PubChem CID108871638
Molecular FormulaC11H9BrN4O2
Molecular Weight309.12 g/mol
Exact Mass307.99
IUPAC Name1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea
SMILESO=C(Nc1ncc(Br)cn1)Nc1ccccc1O
InChIInChI=1S/C11H9BrN4O2/c12-7-5-13-10(14-6-7)16-11(18)15-8-3-1-2-4-9(8)17/h1-6,17H,(H2,13,14,15,16,18)
InChIKeyPFBQUMAQZCDCAT-UHFFFAOYSA-N
XLogP2.59
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea
CID 108869101
1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897456
1-(2-methylphenyl)-3-pyrimidin-2-ylurea
CID 6477188
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757
1-(5-bromopyrimidin-2-yl)-3-(cyclohexylidenemethyl)urea
CID 108912714
4-bromophenol;N-(2-hydroxyphenyl)acetamide
CID 175122442
5-bromo-2-(pyrimidin-2-ylcarbamoylamino)benzoic acid
CID 62073329
1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 108871496
1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea
CID 22011338
2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710
1-(5-bromopyrimidin-2-yl)-3-[(4-methylphenoxy)methyl]urea
CID 108893138
1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide
CID 106833830

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea (CID 108871638) is 1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea is O=C(Nc1ncc(Br)cn1)Nc1ccccc1O.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea?
The InChIKey is PFBQUMAQZCDCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2/c12-7-5-13-10(14-6-7)16-11(18)15-8-3-1-2-4-9(8)17/h1-6,17H,(H2,13,14,15,16,18).
What are the key properties of 1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea?
1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea has a molecular weight of 309.12 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 108871638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).