6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one

C12H19ClN2O4 — CID 114581589

IUPAC6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one
SMILESCOCCOCCOCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C12H19ClN2O4/c1-10-14-11(13)9-12(16)15(10)3-4-18-7-8-19-6-5-17-2/h9H,3-8H2,1-2H3
InChIKeyQZIVDLPMOLLGLF-UHFFFAOYSA-N
MW290.75 g/mol
LogP0.88
Rot. Bonds9

About 6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one

6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one (PubChem CID 114581589) has the molecular formula C12H19ClN2O4 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one
PubChem CID114581589
Molecular FormulaC12H19ClN2O4
Molecular Weight290.75 g/mol
Exact Mass290.10
IUPAC Name6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one
SMILESCOCCOCCOCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C12H19ClN2O4/c1-10-14-11(13)9-12(16)15(10)3-4-18-7-8-19-6-5-17-2/h9H,3-8H2,1-2H3
InChIKeyQZIVDLPMOLLGLF-UHFFFAOYSA-N
XLogP0.88
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one (CID 114581589) is 6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one is COCCOCCOCCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one?
The InChIKey is QZIVDLPMOLLGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O4/c1-10-14-11(13)9-12(16)15(10)3-4-18-7-8-19-6-5-17-2/h9H,3-8H2,1-2H3.
What are the key properties of 6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one?
6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one has a molecular weight of 290.75 g/mol, XLogP of 0.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).