1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione

C16H20N2O4 — CID 15711247

IUPAC1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione
SMILESCOC(CCCOCc1ccccc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O4/c1-21-15(18-10-9-14(19)17-16(18)20)8-5-11-22-12-13-6-3-2-4-7-13/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3,(H,17,19,20)
InChIKeyTWIQIRQBFMUANT-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.68
Rot. Bonds8

About 1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione

1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione (PubChem CID 15711247) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione
PubChem CID15711247
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione
SMILESCOC(CCCOCc1ccccc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O4/c1-21-15(18-10-9-14(19)17-16(18)20)8-5-11-22-12-13-6-3-2-4-7-13/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3,(H,17,19,20)
InChIKeyTWIQIRQBFMUANT-UHFFFAOYSA-N
XLogP1.68
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.68
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 1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione (CID 15711247) is 1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione is COC(CCCOCc1ccccc1)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione?
The InChIKey is TWIQIRQBFMUANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-21-15(18-10-9-14(19)17-16(18)20)8-5-11-22-12-13-6-3-2-4-7-13/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3,(H,17,19,20).
What are the key properties of 1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione?
1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione has a molecular weight of 304.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-phenylmethoxybutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 15711247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).