4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one

C10H16N2O4 — CID 103408680

IUPAC4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N2O4/c1-14-5-6-15-3-2-4-16-10-7-9(13)11-8-12-10/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyROWIXWQDDHYFAY-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.20
Rot. Bonds8

About 4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one

4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one (PubChem CID 103408680) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
PubChem CID103408680
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N2O4/c1-14-5-6-15-3-2-4-16-10-7-9(13)11-8-12-10/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyROWIXWQDDHYFAY-UHFFFAOYSA-N
XLogP0.20
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one (CID 103408680) is 4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one is COCCOCCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one?
The InChIKey is ROWIXWQDDHYFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-14-5-6-15-3-2-4-16-10-7-9(13)11-8-12-10/h7-8H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one?
4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of 0.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103408680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).