5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one

C10H15BrN2O3 — CID 103182040

IUPAC5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1cncc(Br)c1=O
InChIInChI=1S/C10H15BrN2O3/c1-15-4-2-5-16-6-3-13-8-12-7-9(11)10(13)14/h7-8H,2-6H2,1H3
InChIKeyIFRWGBSEMLRBFD-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.06
Rot. Bonds7

About 5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one

5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (PubChem CID 103182040) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
PubChem CID103182040
Molecular FormulaC10H15BrN2O3
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC Name5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1cncc(Br)c1=O
InChIInChI=1S/C10H15BrN2O3/c1-15-4-2-5-16-6-3-13-8-12-7-9(11)10(13)14/h7-8H,2-6H2,1H3
InChIKeyIFRWGBSEMLRBFD-UHFFFAOYSA-N
XLogP1.06
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.06
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-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 66308594
5-Bromo-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 66308926
5-Bromo-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 66310723
5-Bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 66311062
Ethyl 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81298030
Ethyl 2-(5-bromo-6-oxopyrimidin-1-yl)acetate
CID 66309540
5-Bromo-3-(oxetan-3-yl)pyrimidin-4-one
CID 166981879
5-Bromo-3-(oxolan-3-yl)pyrimidin-4-one
CID 166981880
Butyl 2-(5-bromo-2-chloro-6-oxopyrimidin-1-yl)acetate
CID 175993535
5-Bromo-3-(2,2-diethoxyethyl)pyrimidin-4-one
CID 66307869
5-Bromo-3-(2-ethoxyethyl)pyrimidin-4-one
CID 66307878
5-Bromo-3-(2,2-dimethoxyethyl)pyrimidin-4-one
CID 66308079

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (CID 103182040) is 5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is COCCCOCCn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The InChIKey is IFRWGBSEMLRBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-15-4-2-5-16-6-3-13-8-12-7-9(11)10(13)14/h7-8H,2-6H2,1H3.
What are the key properties of 5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one has a molecular weight of 291.14 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 103182040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).