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

C16H15FN2O5 — CID 129292780

IUPAC9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C16H15FN2O5/c1-22-6-2-3-7-23-11-5-4-9-8-10-14(20)18-16(21)19-15(10)24-13(9)12(11)17/h4-5,8H,2-3,6-7H2,1H3,(H,18,20,21)
InChIKeyWSGDKXDQCXJGHD-UHFFFAOYSA-N
MW334.30 g/mol
LogP1.93
Rot. Bonds6

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

9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129292780) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is 9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129292780
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C16H15FN2O5/c1-22-6-2-3-7-23-11-5-4-9-8-10-14(20)18-16(21)19-15(10)24-13(9)12(11)17/h4-5,8H,2-3,6-7H2,1H3,(H,18,20,21)
InChIKeyWSGDKXDQCXJGHD-UHFFFAOYSA-N
XLogP1.93
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione (CID 129292780) is 9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione is COCCCCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F.
What is the InChIKey of 9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WSGDKXDQCXJGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5/c1-22-6-2-3-7-23-11-5-4-9-8-10-14(20)18-16(21)19-15(10)24-13(9)12(11)17/h4-5,8H,2-3,6-7H2,1H3,(H,18,20,21).
What are the key properties of 9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 334.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-8-(4-methoxybutoxy)chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129292780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).