6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione

C15H18N2O4 — CID 4920074

IUPAC6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1COCCOCc1ccccc1
InChIInChI=1S/C15H18N2O4/c1-12-9-14(18)16-15(19)17(12)11-21-8-7-20-10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,16,18,19)
InChIKeyLZEPNXKTEFFHRK-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.04
Rot. Bonds7

About 6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione

6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione (PubChem CID 4920074) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione
PubChem CID4920074
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1COCCOCc1ccccc1
InChIInChI=1S/C15H18N2O4/c1-12-9-14(18)16-15(19)17(12)11-21-8-7-20-10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,16,18,19)
InChIKeyLZEPNXKTEFFHRK-UHFFFAOYSA-N
XLogP1.04
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.04
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 6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione (CID 4920074) is 6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione is Cc1cc(=O)[nH]c(=O)n1COCCOCc1ccccc1.
What is the InChIKey of 6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is LZEPNXKTEFFHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-12-9-14(18)16-15(19)17(12)11-21-8-7-20-10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,16,18,19).
What are the key properties of 6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione?
6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 290.32 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-phenylmethoxyethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4920074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).