6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one

C16H20N2O4 — CID 6482297

IUPAC6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
SMILESCCCCCC#Cc1cc2cn(COCCO)c(=O)nc2o1
InChIInChI=1S/C16H20N2O4/c1-2-3-4-5-6-7-14-10-13-11-18(12-21-9-8-19)16(20)17-15(13)22-14/h10-11,19H,2-5,8-9,12H2,1H3
InChIKeyUFVNGVHMLRFDRY-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.89
Rot. Bonds7

About 6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one

6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one (PubChem CID 6482297) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
PubChem CID6482297
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
SMILESCCCCCC#Cc1cc2cn(COCCO)c(=O)nc2o1
InChIInChI=1S/C16H20N2O4/c1-2-3-4-5-6-7-14-10-13-11-18(12-21-9-8-19)16(20)17-15(13)22-14/h10-11,19H,2-5,8-9,12H2,1H3
InChIKeyUFVNGVHMLRFDRY-UHFFFAOYSA-N
XLogP1.89
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one
CID 11528737
3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
CID 5274245
6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
CID 11219965
6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one
CID 71474987
3-decyl-6-(octoxymethyl)furo[2,3-d]pyrimidin-2-one
CID 11704434
6-(hexoxymethyl)-3-hexylfuro[2,3-d]pyrimidin-2-one
CID 11595187
6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one
CID 11638567
CID 11732773
CID 11732773
7-methoxy-2-oct-1-ynyl-1-benzofuran
CID 25096635
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[2-(4-methylphenyl)ethynyl]furo[2,3-d]pyrimidin-2-one
CID 16756972
3-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-octylfuro[2,3-d]pyrimidin-2-one
CID 101344548
6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
CID 3007809

Frequently Asked Questions

What is the IUPAC name of 6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one (CID 6482297) is 6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one is CCCCCC#Cc1cc2cn(COCCO)c(=O)nc2o1.
What is the InChIKey of 6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one?
The InChIKey is UFVNGVHMLRFDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-3-4-5-6-7-14-10-13-11-18(12-21-9-8-19)16(20)17-15(13)22-14/h10-11,19H,2-5,8-9,12H2,1H3.
What are the key properties of 6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one?
6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one has a molecular weight of 304.35 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 6482297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).