5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione

C13H19Br2N3O3 — CID 15152669

IUPAC5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCn1c(=O)c(Br)c(CN2CCOCC2)n(CCCBr)c1=O
InChIInChI=1S/C13H19Br2N3O3/c1-16-12(19)11(15)10(9-17-5-7-21-8-6-17)18(13(16)20)4-2-3-14/h2-9H2,1H3
InChIKeyZIISYJAFCORVSH-UHFFFAOYSA-N
MW425.12 g/mol
LogP0.93
Rot. Bonds5

About 5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione

5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 15152669) has the molecular formula C13H19Br2N3O3 and a molecular weight of 425.12 g/mol. Its IUPAC name is 5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID15152669
Molecular FormulaC13H19Br2N3O3
Molecular Weight425.12 g/mol
Exact Mass422.98
IUPAC Name5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCn1c(=O)c(Br)c(CN2CCOCC2)n(CCCBr)c1=O
InChIInChI=1S/C13H19Br2N3O3/c1-16-12(19)11(15)10(9-17-5-7-21-8-6-17)18(13(16)20)4-2-3-14/h2-9H2,1H3
InChIKeyZIISYJAFCORVSH-UHFFFAOYSA-N
XLogP0.93
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.12
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione (CID 15152669) is 5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione is Cn1c(=O)c(Br)c(CN2CCOCC2)n(CCCBr)c1=O.
What is the InChIKey of 5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is ZIISYJAFCORVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2N3O3/c1-16-12(19)11(15)10(9-17-5-7-21-8-6-17)18(13(16)20)4-2-3-14/h2-9H2,1H3.
What are the key properties of 5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 425.12 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 15152669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).