5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione

C19H20N2O4 — CID 11823997

IUPAC5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione
SMILESCCc1c(-c2cccc3ccccc23)n(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C19H20N2O4/c1-2-14-17(16-9-5-7-13-6-3-4-8-15(13)16)21(12-25-11-10-22)19(24)20-18(14)23/h3-9,22H,2,10-12H2,1H3,(H,20,23,24)
InChIKeyZQGOXCHEAVWRMZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.89
Rot. Bonds6

About 5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione

5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione (PubChem CID 11823997) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione
PubChem CID11823997
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione
SMILESCCc1c(-c2cccc3ccccc23)n(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C19H20N2O4/c1-2-14-17(16-9-5-7-13-6-3-4-8-15(13)16)21(12-25-11-10-22)19(24)20-18(14)23/h3-9,22H,2,10-12H2,1H3,(H,20,23,24)
InChIKeyZQGOXCHEAVWRMZ-UHFFFAOYSA-N
XLogP1.89
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
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 5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione (CID 11823997) is 5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione is CCc1c(-c2cccc3ccccc23)n(COCCO)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione?
The InChIKey is ZQGOXCHEAVWRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-14-17(16-9-5-7-13-6-3-4-8-15(13)16)21(12-25-11-10-22)19(24)20-18(14)23/h3-9,22H,2,10-12H2,1H3,(H,20,23,24).
What are the key properties of 5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione?
5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 11823997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).