1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione

C17H28N2O6 — CID 20762853

IUPAC1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCCCCCCOC1C(O)C(CCO)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C17H28N2O6/c1-2-3-4-5-6-11-24-15-14(22)12(8-10-20)25-16(15)19-9-7-13(21)18-17(19)23/h7,9,12,14-16,20,22H,2-6,8,10-11H2,1H3,(H,18,21,23)
InChIKeyRQLYEKVIHCTZRY-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.53
Rot. Bonds10

About 1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 20762853) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID20762853
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC Name1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCCCCCCOC1C(O)C(CCO)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C17H28N2O6/c1-2-3-4-5-6-11-24-15-14(22)12(8-10-20)25-16(15)19-9-7-13(21)18-17(19)23/h7,9,12,14-16,20,22H,2-6,8,10-11H2,1H3,(H,18,21,23)
InChIKeyRQLYEKVIHCTZRY-UHFFFAOYSA-N
XLogP0.53
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(aminomethyl)-3-hexadecoxy-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177181973
methyl 16-[2-(2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxyhexadecanoate
CID 170222580
1-[(2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 100911070
1-[(2R,3R,4R,5R)-3-hex-5-enoxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 121487348
1-[(2R,4S,5R)-3-hexyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 121487331
1-[(2R,3S,5R)-3-(aminomethoxy)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 126550157
1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione
CID 20822770
1-[(2R,3R,4S,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 138470105
2-[6-[2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyhexyl]isoindole-1,3-dione
CID 123828060
1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite
CID 178052003
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane
CID 158965615
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889

Frequently Asked Questions

What is the IUPAC name of 1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 20762853) is 1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione is CCCCCCCOC1C(O)C(CCO)OC1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is RQLYEKVIHCTZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6/c1-2-3-4-5-6-11-24-15-14(22)12(8-10-20)25-16(15)19-9-7-13(21)18-17(19)23/h7,9,12,14-16,20,22H,2-6,8,10-11H2,1H3,(H,18,21,23).
What are the key properties of 1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 356.42 g/mol, XLogP of 0.53, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 20762853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).