7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione

C17H17FN2O4 — CID 129292782

IUPAC7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F
InChIInChI=1S/C17H17FN2O4/c1-9(2)4-3-5-23-14-8-13-10(7-12(14)18)6-11-15(21)19-17(22)20-16(11)24-13/h6-9H,3-5H2,1-2H3,(H,19,21,22)
InChIKeyPFWKTKUDTDHTHK-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.94
Rot. Bonds5

About 7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione

7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129292782) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129292782
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F
InChIInChI=1S/C17H17FN2O4/c1-9(2)4-3-5-23-14-8-13-10(7-12(14)18)6-11-15(21)19-17(22)20-16(11)24-13/h6-9H,3-5H2,1-2H3,(H,19,21,22)
InChIKeyPFWKTKUDTDHTHK-UHFFFAOYSA-N
XLogP2.94
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.94
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

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
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
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
8-(3,3-Dimethylbutoxy)-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione
CID 129292751
9-Fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione
CID 129292752
9-Fluoro-8-[2-(2-methoxyethoxy)ethoxy]chromeno[2,3-d]pyrimidine-2,4-dione
CID 129292755

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione (CID 129292782) is 7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione is CC(C)CCCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F.
What is the InChIKey of 7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PFWKTKUDTDHTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-9(2)4-3-5-23-14-8-13-10(7-12(14)18)6-11-15(21)19-17(22)20-16(11)24-13/h6-9H,3-5H2,1-2H3,(H,19,21,22).
What are the key properties of 7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 332.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(4-methylpentoxy)chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129292782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).