1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione

C11H15BrN2O3 — CID 125478927

IUPAC1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C(=O)CCCCCBr)c(=O)[nH]c1=O
InChIInChI=1S/C11H15BrN2O3/c1-8-7-14(11(17)13-10(8)16)9(15)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,13,16,17)
InChIKeySYDIDCCKCPFPQR-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.44
Rot. Bonds5

About 1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione

1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione (PubChem CID 125478927) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione
PubChem CID125478927
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C(=O)CCCCCBr)c(=O)[nH]c1=O
InChIInChI=1S/C11H15BrN2O3/c1-8-7-14(11(17)13-10(8)16)9(15)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,13,16,17)
InChIKeySYDIDCCKCPFPQR-UHFFFAOYSA-N
XLogP1.44
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione
CID 125478680
[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2,4-dimethyl-2-propan-2-ylpentanoate
CID 170126050
1-(5-bromopentanoyl)pyrimidine-2,4-dione
CID 125478537
sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate
CID 139627493
ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate
CID 155124412
[6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
CID 169034515
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide
CID 11645614
1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione
CID 70910079
[3-[(2R)-1-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-oxobutan-2-yl]oxy-2,4-dimethylpentan-3-yl]phosphonic acid
CID 66781120
5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734699
decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 101049324

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione (CID 125478927) is 1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione is Cc1cn(C(=O)CCCCCBr)c(=O)[nH]c1=O.
What is the InChIKey of 1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is SYDIDCCKCPFPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-8-7-14(11(17)13-10(8)16)9(15)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,13,16,17).
What are the key properties of 1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione?
1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 303.16 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 125478927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).