5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione

C11H15BrN2O2 — CID 121223646

IUPAC5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(Br)cn(C2CCCCC2)c1=O
InChIInChI=1S/C11H15BrN2O2/c1-13-10(15)9(12)7-14(11(13)16)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyOOAHHLXAXHTMCC-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.81
Rot. Bonds1

About 5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione

5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione (PubChem CID 121223646) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione
PubChem CID121223646
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(Br)cn(C2CCCCC2)c1=O
InChIInChI=1S/C11H15BrN2O2/c1-13-10(15)9(12)7-14(11(13)16)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyOOAHHLXAXHTMCC-UHFFFAOYSA-N
XLogP1.81
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-methyl-2-sulfanylidenepyrimidin-4-one
CID 174629910
5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione
CID 14386102
1-cyclopentyl-4-methylpyrazine-2,3-dione
CID 134160439
5-bromo-3-methyl-2,4-dioxopyrimidine-1-carboxylic acid
CID 90017825
3-cyclohexyl-5-methyl-1H-imidazol-2-one
CID 81446613
2-cyclohexyl-4-methylisoquinolin-1-one
CID 13298672
3,5-diamino-1-cyclohexylpyridin-2-one
CID 105460853
1-cyclononyl-3,5-di(cyclooctyl)-1,3,5-triazinane-2,4,6-trione
CID 148955013
3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione
CID 3041134
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
CID 154715805
1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 153461023
5-bromo-1-cyclopropyl-3-methylpyridin-2-one
CID 118022249

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione (CID 121223646) is 5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione is Cn1c(=O)c(Br)cn(C2CCCCC2)c1=O.
What is the InChIKey of 5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione?
The InChIKey is OOAHHLXAXHTMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-13-10(15)9(12)7-14(11(13)16)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione?
5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione has a molecular weight of 287.16 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclohexyl-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 121223646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).