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

C16H15FN2O6 — CID 129292755

IUPAC9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCOCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C16H15FN2O6/c1-22-4-5-23-6-7-24-11-3-2-9-8-10-14(20)18-16(21)19-15(10)25-13(9)12(11)17/h2-3,8H,4-7H2,1H3,(H,18,20,21)
InChIKeyZHPXDEZZBFQGIL-UHFFFAOYSA-N
MW350.30 g/mol
LogP1.16
Rot. Bonds7

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

9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129292755) has the molecular formula C16H15FN2O6 and a molecular weight of 350.30 g/mol. Its IUPAC name is 9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129292755
Molecular FormulaC16H15FN2O6
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCOCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C16H15FN2O6/c1-22-4-5-23-6-7-24-11-3-2-9-8-10-14(20)18-16(21)19-15(10)25-13(9)12(11)17/h2-3,8H,4-7H2,1H3,(H,18,20,21)
InChIKeyZHPXDEZZBFQGIL-UHFFFAOYSA-N
XLogP1.16
TPSA103.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 51.16
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-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione (CID 129292755) is 9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione is COCCOCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F.
What is the InChIKey of 9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZHPXDEZZBFQGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O6/c1-22-4-5-23-6-7-24-11-3-2-9-8-10-14(20)18-16(21)19-15(10)25-13(9)12(11)17/h2-3,8H,4-7H2,1H3,(H,18,20,21).
What are the key properties of 9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione?
9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 350.30 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129292755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).