4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one

C14H24N2O5 — CID 103241989

IUPAC4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
SMILESCCCCOCCOCCOCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C14H24N2O5/c1-2-3-4-18-5-6-19-7-8-20-9-10-21-14-11-13(17)15-12-16-14/h11-12H,2-10H2,1H3,(H,15,16,17)
InChIKeyBVRJUFIPOZZPDM-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.00
Rot. Bonds13

About 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one

4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241989) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
PubChem CID103241989
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
SMILESCCCCOCCOCCOCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C14H24N2O5/c1-2-3-4-18-5-6-19-7-8-20-9-10-21-14-11-13(17)15-12-16-14/h11-12H,2-10H2,1H3,(H,15,16,17)
InChIKeyBVRJUFIPOZZPDM-UHFFFAOYSA-N
XLogP1.00
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.00
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 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one (CID 103241989) is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one is CCCCOCCOCCOCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is BVRJUFIPOZZPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-2-3-4-18-5-6-19-7-8-20-9-10-21-14-11-13(17)15-12-16-14/h11-12H,2-10H2,1H3,(H,15,16,17).
What are the key properties of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 300.35 g/mol, XLogP of 1.00, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).