7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione

C16H15FN2O4 — CID 129292818

IUPAC7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F
InChIInChI=1S/C16H15FN2O4/c1-2-3-4-5-22-13-8-12-9(7-11(13)17)6-10-14(20)18-16(21)19-15(10)23-12/h6-8H,2-5H2,1H3,(H,18,20,21)
InChIKeyIQEWBBVWIVVGFV-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.69
Rot. Bonds5

About 7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione

7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129292818) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129292818
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F
InChIInChI=1S/C16H15FN2O4/c1-2-3-4-5-22-13-8-12-9(7-11(13)17)6-10-14(20)18-16(21)19-15(10)23-12/h6-8H,2-5H2,1H3,(H,18,20,21)
InChIKeyIQEWBBVWIVVGFV-UHFFFAOYSA-N
XLogP2.69
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.69
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'}

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Related Compounds

2H-chromeno(2,3-d)pyrimidine-2,4(3H)-dione
CID 1403654
3-Butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione
CID 129279538
9-Fluoro-2-hydroxy-8-(4-methoxybutoxy)-2,3-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 129305931
7-Chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione
CID 129292745
9-Chloro-8-(6-oxoheptoxy)chromeno[2,3-d]pyrimidine-2,4-dione
CID 129292775
9-Chloro-8-propoxychromeno[2,3-d]pyrimidine-2,4-dione
CID 129292784
5-[(4-Ethoxy-5-fluoro-2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 129279555
7-Fluoro-8-[3-(2-methoxyethoxy)propoxy]chromeno[2,3-d]pyrimidine-2,4-dione
CID 129279568
8-Ethoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione
CID 129279570
7-Fluoro-8-methylchromeno[2,3-d]pyrimidine-2,4-dione
CID 129279578
8-(2,2-Dimethylpropoxy)-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione
CID 129292746
9-Fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione
CID 129292749

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione (CID 129292818) is 7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione is CCCCCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F.
What is the InChIKey of 7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is IQEWBBVWIVVGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-2-3-4-5-22-13-8-12-9(7-11(13)17)6-10-14(20)18-16(21)19-15(10)23-12/h6-8H,2-5H2,1H3,(H,18,20,21).
What are the key properties of 7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione?
7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 318.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-pentoxychromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129292818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).