1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione

C17H22N2O5 — CID 10472053

IUPAC1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCCOc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1
InChIInChI=1S/C17H22N2O5/c1-2-7-24-15-5-3-4-13(10-15)9-14-11-19(12-23-8-6-20)17(22)18-16(14)21/h3-5,10-11,20H,2,6-9,12H2,1H3,(H,18,21,22)
InChIKeyDXUZJGHBPUXUEL-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.88
Rot. Bonds9

About 1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione

1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 10472053) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID10472053
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCCOc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1
InChIInChI=1S/C17H22N2O5/c1-2-7-24-15-5-3-4-13(10-15)9-14-11-19(12-23-8-6-20)17(22)18-16(14)21/h3-5,10-11,20H,2,6-9,12H2,1H3,(H,18,21,22)
InChIKeyDXUZJGHBPUXUEL-UHFFFAOYSA-N
XLogP0.88
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione (CID 10472053) is 1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione is CCCOc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1.
What is the InChIKey of 1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is DXUZJGHBPUXUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-2-7-24-15-5-3-4-13(10-15)9-14-11-19(12-23-8-6-20)17(22)18-16(14)21/h3-5,10-11,20H,2,6-9,12H2,1H3,(H,18,21,22).
What are the key properties of 1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione?
1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 334.37 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxymethyl)-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10472053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).