5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one

C11H17BrN2O3 — CID 103411679

IUPAC5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one
SMILESCOCCOCCCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C11H17BrN2O3/c1-9-10(12)11(15)14(8-13-9)4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3
InChIKeyOQSUOURTCVLCOU-UHFFFAOYSA-N
MW305.17 g/mol
LogP1.37
Rot. Bonds7

About 5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one

5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one (PubChem CID 103411679) has the molecular formula C11H17BrN2O3 and a molecular weight of 305.17 g/mol. Its IUPAC name is 5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one
PubChem CID103411679
Molecular FormulaC11H17BrN2O3
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Name5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one
SMILESCOCCOCCCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C11H17BrN2O3/c1-9-10(12)11(15)14(8-13-9)4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3
InChIKeyOQSUOURTCVLCOU-UHFFFAOYSA-N
XLogP1.37
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-6-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 66308124
5-Bromo-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one
CID 66308127
5-Bromo-6-methyl-3-propyl-3,4-dihydropyrimidin-4-one
CID 66308133
5-Bromo-3-(2-methoxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 66308137
5-Bromo-3-[2-(3-methoxypropylamino)ethyl]-6-methylpyrimidin-4-one
CID 66308568
5-Bromo-6-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
CID 66308983
5-Bromo-3-[2-(2-hydroxyethoxy)ethyl]-6-methylpyrimidin-4-one
CID 66309602
Methyl 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoate
CID 66309805
5-Bromo-3-(3-hydroxypropyl)-6-methylpyrimidin-4-one
CID 66310245
Ethyl 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoate
CID 66310440
5-Bromo-3-(3,3-diethoxypropyl)-6-methylpyrimidin-4-one
CID 66310456
5-Bromo-3-(2-butoxyethyl)-6-methylpyrimidin-4-one
CID 66310463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one (CID 103411679) is 5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one is COCCOCCCn1cnc(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one?
The InChIKey is OQSUOURTCVLCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3/c1-9-10(12)11(15)14(8-13-9)4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3.
What are the key properties of 5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one?
5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one has a molecular weight of 305.17 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[3-(2-methoxyethoxy)propyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 103411679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).