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

C22H24N2O3 — CID 501422

IUPAC5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESC=C(C)COCn1c(Cc2cccc3ccccc23)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N2O3/c1-4-18-20(12-17-10-7-9-16-8-5-6-11-19(16)17)24(14-27-13-15(2)3)22(26)23-21(18)25/h5-11H,2,4,12-14H2,1,3H3,(H,23,25,26)
InChIKeyXLMMKNLIOIZMDD-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.39
Rot. Bonds7

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

5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (PubChem CID 501422) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
PubChem CID501422
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESC=C(C)COCn1c(Cc2cccc3ccccc23)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N2O3/c1-4-18-20(12-17-10-7-9-16-8-5-6-11-19(16)17)24(14-27-13-15(2)3)22(26)23-21(18)25/h5-11H,2,4,12-14H2,1,3H3,(H,23,25,26)
InChIKeyXLMMKNLIOIZMDD-UHFFFAOYSA-N
XLogP3.39
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (CID 501422) is 5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is C=C(C)COCn1c(Cc2cccc3ccccc23)c(CC)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is XLMMKNLIOIZMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-18-20(12-17-10-7-9-16-8-5-6-11-19(16)17)24(14-27-13-15(2)3)22(26)23-21(18)25/h5-11H,2,4,12-14H2,1,3H3,(H,23,25,26).
What are the key properties of 5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 501422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).