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

C21H24N2O4 — CID 509571

IUPAC1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Cc2cccc3ccccc23)n(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C21H24N2O4/c1-14(2)19-18(23(13-27-11-10-24)21(26)22-20(19)25)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,24H,10-13H2,1-2H3,(H,22,25,26)
InChIKeyZLTXBTKDPJXTSI-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.37
Rot. Bonds7

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

1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 509571) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID509571
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Cc2cccc3ccccc23)n(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C21H24N2O4/c1-14(2)19-18(23(13-27-11-10-24)21(26)22-20(19)25)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,24H,10-13H2,1-2H3,(H,22,25,26)
InChIKeyZLTXBTKDPJXTSI-UHFFFAOYSA-N
XLogP2.37
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.37
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 1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 509571) is 1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione is CC(C)c1c(Cc2cccc3ccccc23)n(COCCO)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is ZLTXBTKDPJXTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)19-18(23(13-27-11-10-24)21(26)22-20(19)25)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,24H,10-13H2,1-2H3,(H,22,25,26).
What are the key properties of 1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 368.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 509571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).