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

C19H17FIN3O4 — CID 71003102

IUPAC3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O
InChIInChI=1S/C19H17FIN3O4/c1-3-11-15(25)14-16(22(2)17(11)26)24(13-7-4-9(21)8-12(13)20)19(28)23(18(14)27)10-5-6-10/h4,7-8,10,25H,3,5-6H2,1-2H3
InChIKeyLNVOWYZGNZYIHA-UHFFFAOYSA-N
MW497.26 g/mol
LogP2.20
Rot. Bonds3

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

3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 71003102) has the molecular formula C19H17FIN3O4 and a molecular weight of 497.26 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID71003102
Molecular FormulaC19H17FIN3O4
Molecular Weight497.26 g/mol
Exact Mass497.02
IUPAC Name3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O
InChIInChI=1S/C19H17FIN3O4/c1-3-11-15(25)14-16(22(2)17(11)26)24(13-7-4-9(21)8-12(13)20)19(28)23(18(14)27)10-5-6-10/h4,7-8,10,25H,3,5-6H2,1-2H3
InChIKeyLNVOWYZGNZYIHA-UHFFFAOYSA-N
XLogP2.20
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.26
LogP ≤ 52.20
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-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 71003102) is 3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione is CCc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is LNVOWYZGNZYIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FIN3O4/c1-3-11-15(25)14-16(22(2)17(11)26)24(13-7-4-9(21)8-12(13)20)19(28)23(18(14)27)10-5-6-10/h4,7-8,10,25H,3,5-6H2,1-2H3.
What are the key properties of 3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 497.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 71003102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).