6-bromo-5-phenyl-1H-pyrimidine-2,4-dione

C10H7BrN2O2 — CID 23648528

IUPAC6-bromo-5-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Br)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H7BrN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)
InChIKeyXSEDFSJHHTXVPL-UHFFFAOYSA-N
MW267.08 g/mol
LogP1.49
Rot. Bonds1

About 6-bromo-5-phenyl-1H-pyrimidine-2,4-dione

6-bromo-5-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 23648528) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 6-bromo-5-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-bromo-5-phenyl-1H-pyrimidine-2,4-dione
PubChem CID23648528
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name6-bromo-5-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Br)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H7BrN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)
InChIKeyXSEDFSJHHTXVPL-UHFFFAOYSA-N
XLogP1.49
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-bromo-5-phenyl-1H-pyrimidine-2,4-dione (CID 23648528) is 6-bromo-5-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-bromo-5-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-bromo-5-phenyl-1H-pyrimidine-2,4-dione is O=c1[nH]c(Br)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-bromo-5-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is XSEDFSJHHTXVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15).
What are the key properties of 6-bromo-5-phenyl-1H-pyrimidine-2,4-dione?
6-bromo-5-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 267.08 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).