5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

C15H12FIN4O2 — CID 24965727

IUPAC5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCn1cnc2c(c(Nc3ccc(I)cc3F)cc(=O)n2C)c1=O
InChIInChI=1S/C15H12FIN4O2/c1-20-7-18-14-13(15(20)23)11(6-12(22)21(14)2)19-10-4-3-8(17)5-9(10)16/h3-7,19H,1-2H3
InChIKeyKZRPLGCWNHYBDB-UHFFFAOYSA-N
MW426.19 g/mol
LogP2.12
Rot. Bonds2

About 5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 24965727) has the molecular formula C15H12FIN4O2 and a molecular weight of 426.19 g/mol. Its IUPAC name is 5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID24965727
Molecular FormulaC15H12FIN4O2
Molecular Weight426.19 g/mol
Exact Mass426.00
IUPAC Name5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCn1cnc2c(c(Nc3ccc(I)cc3F)cc(=O)n2C)c1=O
InChIInChI=1S/C15H12FIN4O2/c1-20-7-18-14-13(15(20)23)11(6-12(22)21(14)2)19-10-4-3-8(17)5-9(10)16/h3-7,19H,1-2H3
InChIKeyKZRPLGCWNHYBDB-UHFFFAOYSA-N
XLogP2.12
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.19
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (CID 24965727) is 5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is Cn1cnc2c(c(Nc3ccc(I)cc3F)cc(=O)n2C)c1=O.
What is the InChIKey of 5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is KZRPLGCWNHYBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FIN4O2/c1-20-7-18-14-13(15(20)23)11(6-12(22)21(14)2)19-10-4-3-8(17)5-9(10)16/h3-7,19H,1-2H3.
What are the key properties of 5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 426.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-iodoanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 24965727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).