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

C15H13FN2O4 — CID 129292776

IUPAC9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)COc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C15H13FN2O4/c1-7(2)6-21-10-4-3-8-5-9-13(19)17-15(20)18-14(9)22-12(8)11(10)16/h3-5,7H,6H2,1-2H3,(H,17,19,20)
InChIKeyXFWWZCHCBAGSBE-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.15
Rot. Bonds3

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

9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129292776) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129292776
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)COc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C15H13FN2O4/c1-7(2)6-21-10-4-3-8-5-9-13(19)17-15(20)18-14(9)22-12(8)11(10)16/h3-5,7H,6H2,1-2H3,(H,17,19,20)
InChIKeyXFWWZCHCBAGSBE-UHFFFAOYSA-N
XLogP2.15
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione (CID 129292776) is 9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione is CC(C)COc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F.
What is the InChIKey of 9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XFWWZCHCBAGSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-7(2)6-21-10-4-3-8-5-9-13(19)17-15(20)18-14(9)22-12(8)11(10)16/h3-5,7H,6H2,1-2H3,(H,17,19,20).
What are the key properties of 9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 304.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129292776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).