6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one

C11H19N3O5 — CID 11623197

IUPAC6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one
SMILESCOc1nc(N)cc(=O)n1CCOCCOCCO
InChIInChI=1S/C11H19N3O5/c1-17-11-13-9(12)8-10(16)14(11)2-4-18-6-7-19-5-3-15/h8,15H,2-7,12H2,1H3
InChIKeyWXRUUUSTOIJECN-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.14
Rot. Bonds9

About 6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one

6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one (PubChem CID 11623197) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one
PubChem CID11623197
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one
SMILESCOc1nc(N)cc(=O)n1CCOCCOCCO
InChIInChI=1S/C11H19N3O5/c1-17-11-13-9(12)8-10(16)14(11)2-4-18-6-7-19-5-3-15/h8,15H,2-7,12H2,1H3
InChIKeyWXRUUUSTOIJECN-UHFFFAOYSA-N
XLogP-1.14
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one?
The IUPAC name of 6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one (CID 11623197) is 6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one.
What is the SMILES notation for 6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one?
The canonical SMILES for 6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one is COc1nc(N)cc(=O)n1CCOCCOCCO.
What is the InChIKey of 6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one?
The InChIKey is WXRUUUSTOIJECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-17-11-13-9(12)8-10(16)14(11)2-4-18-6-7-19-5-3-15/h8,15H,2-7,12H2,1H3.
What are the key properties of 6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one?
6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one has a molecular weight of 273.29 g/mol, XLogP of -1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methoxypyrimidin-4-one is sourced from PubChem (CID 11623197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).