8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione

C15H13FN2O4 — CID 129292811

IUPAC8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C15H13FN2O4/c1-2-3-6-21-10-5-4-8-7-9-13(19)17-15(20)18-14(9)22-12(8)11(10)16/h4-5,7H,2-3,6H2,1H3,(H,17,19,20)
InChIKeyTUESBWWESBOIPM-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.30
Rot. Bonds4

About 8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione

8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129292811) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129292811
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C15H13FN2O4/c1-2-3-6-21-10-5-4-8-7-9-13(19)17-15(20)18-14(9)22-12(8)11(10)16/h4-5,7H,2-3,6H2,1H3,(H,17,19,20)
InChIKeyTUESBWWESBOIPM-UHFFFAOYSA-N
XLogP2.30
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-butoxy-9-fluorochromeno[2,3-d]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

Frequently Asked Questions

What is the IUPAC name of 8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione (CID 129292811) is 8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione is CCCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F.
What is the InChIKey of 8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is TUESBWWESBOIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-2-3-6-21-10-5-4-8-7-9-13(19)17-15(20)18-14(9)22-12(8)11(10)16/h4-5,7H,2-3,6H2,1H3,(H,17,19,20).
What are the key properties of 8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 304.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butoxy-9-fluorochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129292811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).