5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione

C10H6BrClN2O2 — CID 638640

IUPAC5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C10H6BrClN2O2/c11-8-5-14(10(16)13-9(8)15)7-3-1-6(12)2-4-7/h1-5H,(H,13,15,16)
InChIKeyXONKIORBAHMEMN-UHFFFAOYSA-N
MW301.53 g/mol
LogP1.94
Rot. Bonds1

About 5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione

5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione (PubChem CID 638640) has the molecular formula C10H6BrClN2O2 and a molecular weight of 301.53 g/mol. Its IUPAC name is 5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione
PubChem CID638640
Molecular FormulaC10H6BrClN2O2
Molecular Weight301.53 g/mol
Exact Mass299.93
IUPAC Name5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C10H6BrClN2O2/c11-8-5-14(10(16)13-9(8)15)7-3-1-6(12)2-4-7/h1-5H,(H,13,15,16)
InChIKeyXONKIORBAHMEMN-UHFFFAOYSA-N
XLogP1.94
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione (CID 638640) is 5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The InChIKey is XONKIORBAHMEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O2/c11-8-5-14(10(16)13-9(8)15)7-3-1-6(12)2-4-7/h1-5H,(H,13,15,16).
What are the key properties of 5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione?
5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione has a molecular weight of 301.53 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 638640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).