5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione

C16H14FIN4O2 — CID 24965730

IUPAC5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1c(Nc2ccc(I)cc2F)c2c(=O)n(C)cnc2n(C)c1=O
InChIInChI=1S/C16H14FIN4O2/c1-8-13(20-11-5-4-9(18)6-10(11)17)12-14(22(3)15(8)23)19-7-21(2)16(12)24/h4-7,20H,1-3H3
InChIKeyCHZAWGZUVVSSTI-UHFFFAOYSA-N
MW440.22 g/mol
LogP2.43
Rot. Bonds2

About 5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione

5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 24965730) has the molecular formula C16H14FIN4O2 and a molecular weight of 440.22 g/mol. Its IUPAC name is 5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID24965730
Molecular FormulaC16H14FIN4O2
Molecular Weight440.22 g/mol
Exact Mass440.01
IUPAC Name5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1c(Nc2ccc(I)cc2F)c2c(=O)n(C)cnc2n(C)c1=O
InChIInChI=1S/C16H14FIN4O2/c1-8-13(20-11-5-4-9(18)6-10(11)17)12-14(22(3)15(8)23)19-7-21(2)16(12)24/h4-7,20H,1-3H3
InChIKeyCHZAWGZUVVSSTI-UHFFFAOYSA-N
XLogP2.43
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.22
LogP ≤ 52.43
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)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione (CID 24965730) is 5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione is Cc1c(Nc2ccc(I)cc2F)c2c(=O)n(C)cnc2n(C)c1=O.
What is the InChIKey of 5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is CHZAWGZUVVSSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FIN4O2/c1-8-13(20-11-5-4-9(18)6-10(11)17)12-14(22(3)15(8)23)19-7-21(2)16(12)24/h4-7,20H,1-3H3.
What are the key properties of 5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione?
5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 440.22 g/mol, XLogP of 2.43, 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)-3,6,8-trimethylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 24965730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).