6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione

C12H11BrN2O2 — CID 82489974

IUPAC6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CCc2ccc(Br)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C12H11BrN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)15-12(17)14-10/h1-2,4-5,7H,3,6H2,(H2,14,15,16,17)
InChIKeySRYAHZBAVNRXCB-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.61
Rot. Bonds3

About 6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione

6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 82489974) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID82489974
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CCc2ccc(Br)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C12H11BrN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)15-12(17)14-10/h1-2,4-5,7H,3,6H2,(H2,14,15,16,17)
InChIKeySRYAHZBAVNRXCB-UHFFFAOYSA-N
XLogP1.61
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione (CID 82489974) is 6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione is O=c1cc(CCc2ccc(Br)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is SRYAHZBAVNRXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)15-12(17)14-10/h1-2,4-5,7H,3,6H2,(H2,14,15,16,17).
What are the key properties of 6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione?
6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 295.14 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 82489974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).