1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione

C11H9BrN2O2 — CID 27211061

IUPAC1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1-c1ccccc1Br
InChIInChI=1S/C11H9BrN2O2/c1-7-6-10(15)13-11(16)14(7)9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,15,16)
InChIKeyFTJFSJKEGTVFRO-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.60
Rot. Bonds1

About 1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione

1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione (PubChem CID 27211061) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione
PubChem CID27211061
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1-c1ccccc1Br
InChIInChI=1S/C11H9BrN2O2/c1-7-6-10(15)13-11(16)14(7)9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,15,16)
InChIKeyFTJFSJKEGTVFRO-UHFFFAOYSA-N
XLogP1.60
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione (CID 27211061) is 1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione is Cc1cc(=O)[nH]c(=O)n1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione?
The InChIKey is FTJFSJKEGTVFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-7-6-10(15)13-11(16)14(7)9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,15,16).
What are the key properties of 1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione?
1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione has a molecular weight of 281.11 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 27211061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).