5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione

C17H16FIN4O3 — CID 71081004

IUPAC5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOCCn1cnc(=O)c2c(Nc3ccc(I)cc3F)cc(=O)n(C)c21
InChIInChI=1S/C17H16FIN4O3/c1-22-14(24)8-13(21-12-4-3-10(19)7-11(12)18)15-16(25)20-9-23(17(15)22)5-6-26-2/h3-4,7-9,21H,5-6H2,1-2H3
InChIKeyWWOZBLTZAOFKEA-UHFFFAOYSA-N
MW470.24 g/mol
LogP2.23
Rot. Bonds5

About 5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione

5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 71081004) has the molecular formula C17H16FIN4O3 and a molecular weight of 470.24 g/mol. Its IUPAC name is 5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID71081004
Molecular FormulaC17H16FIN4O3
Molecular Weight470.24 g/mol
Exact Mass470.03
IUPAC Name5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOCCn1cnc(=O)c2c(Nc3ccc(I)cc3F)cc(=O)n(C)c21
InChIInChI=1S/C17H16FIN4O3/c1-22-14(24)8-13(21-12-4-3-10(19)7-11(12)18)15-16(25)20-9-23(17(15)22)5-6-26-2/h3-4,7-9,21H,5-6H2,1-2H3
InChIKeyWWOZBLTZAOFKEA-UHFFFAOYSA-N
XLogP2.23
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione (CID 71081004) is 5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione is COCCn1cnc(=O)c2c(Nc3ccc(I)cc3F)cc(=O)n(C)c21.
What is the InChIKey of 5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is WWOZBLTZAOFKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FIN4O3/c1-22-14(24)8-13(21-12-4-3-10(19)7-11(12)18)15-16(25)20-9-23(17(15)22)5-6-26-2/h3-4,7-9,21H,5-6H2,1-2H3.
What are the key properties of 5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 470.24 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 71081004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).