5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one

C11H17ClN2O5 — CID 114676579

IUPAC5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H17ClN2O5/c1-16-2-3-17-4-5-18-6-7-19-11-9(12)10(15)13-8-14-11/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyINKHDAKIBRFACU-UHFFFAOYSA-N
MW292.72 g/mol
LogP0.48
Rot. Bonds10

About 5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one

5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one (PubChem CID 114676579) has the molecular formula C11H17ClN2O5 and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
PubChem CID114676579
Molecular FormulaC11H17ClN2O5
Molecular Weight292.72 g/mol
Exact Mass292.08
IUPAC Name5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H17ClN2O5/c1-16-2-3-17-4-5-18-6-7-19-11-9(12)10(15)13-8-14-11/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyINKHDAKIBRFACU-UHFFFAOYSA-N
XLogP0.48
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 50.48
H-Bond Donors ≤ 51
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 5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one (CID 114676579) is 5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one is COCCOCCOCCOc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is INKHDAKIBRFACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O5/c1-16-2-3-17-4-5-18-6-7-19-11-9(12)10(15)13-8-14-11/h8H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 292.72 g/mol, XLogP of 0.48, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114676579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).