9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione

C17H17FN2O6 — CID 129292792

IUPAC9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCOCCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C17H17FN2O6/c1-23-7-8-24-5-2-6-25-12-4-3-10-9-11-15(21)19-17(22)20-16(11)26-14(10)13(12)18/h3-4,9H,2,5-8H2,1H3,(H,19,21,22)
InChIKeyZHUKIWSMWNLIDW-UHFFFAOYSA-N
MW364.33 g/mol
LogP1.55
Rot. Bonds8

About 9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione

9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129292792) has the molecular formula C17H17FN2O6 and a molecular weight of 364.33 g/mol. Its IUPAC name is 9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129292792
Molecular FormulaC17H17FN2O6
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCOCCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C17H17FN2O6/c1-23-7-8-24-5-2-6-25-12-4-3-10-9-11-15(21)19-17(22)20-16(11)26-14(10)13(12)18/h3-4,9H,2,5-8H2,1H3,(H,19,21,22)
InChIKeyZHUKIWSMWNLIDW-UHFFFAOYSA-N
XLogP1.55
TPSA103.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione (CID 129292792) is 9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione is COCCOCCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F.
What is the InChIKey of 9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZHUKIWSMWNLIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O6/c1-23-7-8-24-5-2-6-25-12-4-3-10-9-11-15(21)19-17(22)20-16(11)26-14(10)13(12)18/h3-4,9H,2,5-8H2,1H3,(H,19,21,22).
What are the key properties of 9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione?
9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 364.33 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129292792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).