3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

C18H15FIN3O4 — CID 59717004

IUPAC3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O
InChIInChI=1S/C18H15FIN3O4/c1-8-14(24)13-15(21(2)16(8)25)23(12-6-3-9(20)7-11(12)19)18(27)22(17(13)26)10-4-5-10/h3,6-7,10,24H,4-5H2,1-2H3
InChIKeyMHHFXMZMCYWCJQ-UHFFFAOYSA-N
MW483.24 g/mol
LogP1.94
Rot. Bonds2

About 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59717004) has the molecular formula C18H15FIN3O4 and a molecular weight of 483.24 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59717004
Molecular FormulaC18H15FIN3O4
Molecular Weight483.24 g/mol
Exact Mass483.01
IUPAC Name3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O
InChIInChI=1S/C18H15FIN3O4/c1-8-14(24)13-15(21(2)16(8)25)23(12-6-3-9(20)7-11(12)19)18(27)22(17(13)26)10-4-5-10/h3,6-7,10,24H,4-5H2,1-2H3
InChIKeyMHHFXMZMCYWCJQ-UHFFFAOYSA-N
XLogP1.94
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.24
LogP ≤ 51.94
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 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 59717004) is 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O.
What is the InChIKey of 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is MHHFXMZMCYWCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN3O4/c1-8-14(24)13-15(21(2)16(8)25)23(12-6-3-9(20)7-11(12)19)18(27)22(17(13)26)10-4-5-10/h3,6-7,10,24H,4-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 483.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59717004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).