5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione

C19H20N2O3 — CID 509586

IUPAC5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1c(Cc2ccc3ccccc3c2)n(COC)c(=O)[nH]c1=O
InChIInChI=1S/C19H20N2O3/c1-3-16-17(21(12-24-2)19(23)20-18(16)22)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10H,3,11-12H2,1-2H3,(H,20,22,23)
InChIKeyGEBIWRLXMVKNQU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.45
Rot. Bonds5

About 5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione

5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 509586) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID509586
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1c(Cc2ccc3ccccc3c2)n(COC)c(=O)[nH]c1=O
InChIInChI=1S/C19H20N2O3/c1-3-16-17(21(12-24-2)19(23)20-18(16)22)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10H,3,11-12H2,1-2H3,(H,20,22,23)
InChIKeyGEBIWRLXMVKNQU-UHFFFAOYSA-N
XLogP2.45
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione (CID 509586) is 5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione is CCc1c(Cc2ccc3ccccc3c2)n(COC)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is GEBIWRLXMVKNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-16-17(21(12-24-2)19(23)20-18(16)22)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10H,3,11-12H2,1-2H3,(H,20,22,23).
What are the key properties of 5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione?
5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 324.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 509586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).