8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione

C15H13FN2O4 — CID 129292805

IUPAC8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F
InChIInChI=1S/C15H13FN2O4/c1-2-3-4-21-12-7-11-8(6-10(12)16)5-9-13(19)17-15(20)18-14(9)22-11/h5-7H,2-4H2,1H3,(H,17,19,20)
InChIKeyCCUCJOAROYGSGY-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.30
Rot. Bonds4

About 8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione

8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129292805) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129292805
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F
InChIInChI=1S/C15H13FN2O4/c1-2-3-4-21-12-7-11-8(6-10(12)16)5-9-13(19)17-15(20)18-14(9)22-11/h5-7H,2-4H2,1H3,(H,17,19,20)
InChIKeyCCUCJOAROYGSGY-UHFFFAOYSA-N
XLogP2.30
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of 8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione (CID 129292805) is 8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione is CCCCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F.
What is the InChIKey of 8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CCUCJOAROYGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-2-3-4-21-12-7-11-8(6-10(12)16)5-9-13(19)17-15(20)18-14(9)22-11/h5-7H,2-4H2,1H3,(H,17,19,20).
What are the key properties of 8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione?
8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 304.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butoxy-7-fluorochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129292805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).