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

C16H15FIN5O3 — CID 24966788

IUPAC3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCN)cnc21
InChIInChI=1S/C16H15FIN5O3/c1-22-13(24)7-12(21-11-3-2-9(18)6-10(11)17)14-15(22)20-8-23(16(14)25)26-5-4-19/h2-3,6-8,21H,4-5,19H2,1H3
InChIKeyZCQXYFIJFURMRC-UHFFFAOYSA-N
MW471.23 g/mol
LogP0.97
Rot. Bonds5

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

3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 24966788) has the molecular formula C16H15FIN5O3 and a molecular weight of 471.23 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID24966788
Molecular FormulaC16H15FIN5O3
Molecular Weight471.23 g/mol
Exact Mass471.02
IUPAC Name3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCN)cnc21
InChIInChI=1S/C16H15FIN5O3/c1-22-13(24)7-12(21-11-3-2-9(18)6-10(11)17)14-15(22)20-8-23(16(14)25)26-5-4-19/h2-3,6-8,21H,4-5,19H2,1H3
InChIKeyZCQXYFIJFURMRC-UHFFFAOYSA-N
XLogP0.97
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione
CID 143711373
ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711337
1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine
CID 159282934
methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate
CID 143711375
methyl 5-(2-fluoro-4-iodoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate
CID 25072119
5-(2-fluoro-4-iodoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylic acid
CID 25072121
5-(2-chloro-4-iodoanilino)-3-(2,3-dihydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 67065976
6-chloro-5-(2-fluoro-4-iodoanilino)-3-(2-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 24967881
5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 135741654
2-fluoro-5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711329
6-fluoro-5-(2-fluoro-4-iodoanilino)-3-[(2R)-3-hydroxy-2-methoxypropyl]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 144762838
3-[(2R)-2,3-dihydroxypropyl]-5-[2-fluoro-4-(methylsulfonylmethyl)anilino]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 58191935

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione (CID 24966788) is 3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione is Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCN)cnc21.
What is the InChIKey of 3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is ZCQXYFIJFURMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FIN5O3/c1-22-13(24)7-12(21-11-3-2-9(18)6-10(11)17)14-15(22)20-8-23(16(14)25)26-5-4-19/h2-3,6-8,21H,4-5,19H2,1H3.
What are the key properties of 3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 471.23 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 24966788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).