5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C15H20N2O5 — CID 59304879

IUPAC5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=C1NC(=O)C2C(CCCOC3CCCC3)=CC(=O)OC2N1
InChIInChI=1S/C15H20N2O5/c18-11-8-9(4-3-7-21-10-5-1-2-6-10)12-13(19)16-15(20)17-14(12)22-11/h8,10,12,14H,1-7H2,(H2,16,17,19,20)
InChIKeyPFPBJWJUZKYAFZ-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.99
Rot. Bonds5

About 5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59304879) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59304879
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=C1NC(=O)C2C(CCCOC3CCCC3)=CC(=O)OC2N1
InChIInChI=1S/C15H20N2O5/c18-11-8-9(4-3-7-21-10-5-1-2-6-10)12-13(19)16-15(20)17-14(12)22-11/h8,10,12,14H,1-7H2,(H2,16,17,19,20)
InChIKeyPFPBJWJUZKYAFZ-UHFFFAOYSA-N
XLogP0.99
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.99
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 5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 59304879) is 5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is O=C1NC(=O)C2C(CCCOC3CCCC3)=CC(=O)OC2N1.
What is the InChIKey of 5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is PFPBJWJUZKYAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c18-11-8-9(4-3-7-21-10-5-1-2-6-10)12-13(19)16-15(20)17-14(12)22-11/h8,10,12,14H,1-7H2,(H2,16,17,19,20).
What are the key properties of 5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 308.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59304879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).