3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one

C20H24N2O4 — CID 5274245

IUPAC3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
SMILESCCCCCc1ccc(-c2cc3cn(COCCO)c(=O)nc3o2)cc1
InChIInChI=1S/C20H24N2O4/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-17-13-22(14-25-11-10-23)20(24)21-19(17)26-18/h6-9,12-13,23H,2-5,10-11,14H2,1H3
InChIKeyBHBQQFNTZBPTNP-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.36
Rot. Bonds9

About 3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one

3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one (PubChem CID 5274245) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
PubChem CID5274245
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
SMILESCCCCCc1ccc(-c2cc3cn(COCCO)c(=O)nc3o2)cc1
InChIInChI=1S/C20H24N2O4/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-17-13-22(14-25-11-10-23)20(24)21-19(17)26-18/h6-9,12-13,23H,2-5,10-11,14H2,1H3
InChIKeyBHBQQFNTZBPTNP-UHFFFAOYSA-N
XLogP3.36
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
CID 6482297
3-[(4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
CID 3011494
6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
CID 11219965
[(2R,5R)-2-(hydroxymethyl)-5-[2-oxo-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-3-yl]oxolan-3-yl] 2-amino-3-methylbutanoate
CID 59525291
[(3S,5R)-3-hydroxy-5-[2-oxo-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-3-yl]oxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 134695366
[3-hydroxy-5-[2-oxo-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-3-yl]oxolan-2-yl]methyl 2-amino-3-methylbutanoate;methane
CID 157374871
[2-hydroxy-2-methyl-5-[2-oxo-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-3-yl]oxolan-3-yl] 2,3-dimethylbutanoate
CID 25012068
6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one
CID 71474987
6-(4-hexoxyphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
CID 504630
CID 11732773
CID 11732773
6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one
CID 11638567
3-decyl-6-(octoxymethyl)furo[2,3-d]pyrimidin-2-one
CID 11704434

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one?
The IUPAC name of 3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one (CID 5274245) is 3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one is CCCCCc1ccc(-c2cc3cn(COCCO)c(=O)nc3o2)cc1.
What is the InChIKey of 3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one?
The InChIKey is BHBQQFNTZBPTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-17-13-22(14-25-11-10-23)20(24)21-19(17)26-18/h6-9,12-13,23H,2-5,10-11,14H2,1H3.
What are the key properties of 3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one?
3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one has a molecular weight of 356.42 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 5274245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).