5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

C17H16BrFN4O3 — CID 24966078

IUPAC5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1c(Nc2ccc(Br)cc2F)c2c(=O)n(CCO)cnc2n(C)c1=O
InChIInChI=1S/C17H16BrFN4O3/c1-9-14(21-12-4-3-10(18)7-11(12)19)13-15(22(2)16(9)25)20-8-23(5-6-24)17(13)26/h3-4,7-8,21,24H,5-6H2,1-2H3
InChIKeyMFJNYZVALCVKHT-UHFFFAOYSA-N
MW423.24 g/mol
LogP2.04
Rot. Bonds4

About 5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 24966078) has the molecular formula C17H16BrFN4O3 and a molecular weight of 423.24 g/mol. Its IUPAC name is 5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID24966078
Molecular FormulaC17H16BrFN4O3
Molecular Weight423.24 g/mol
Exact Mass422.04
IUPAC Name5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1c(Nc2ccc(Br)cc2F)c2c(=O)n(CCO)cnc2n(C)c1=O
InChIInChI=1S/C17H16BrFN4O3/c1-9-14(21-12-4-3-10(18)7-11(12)19)13-15(22(2)16(9)25)20-8-23(5-6-24)17(13)26/h3-4,7-8,21,24H,5-6H2,1-2H3
InChIKeyMFJNYZVALCVKHT-UHFFFAOYSA-N
XLogP2.04
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[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

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (CID 24966078) is 5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is Cc1c(Nc2ccc(Br)cc2F)c2c(=O)n(CCO)cnc2n(C)c1=O.
What is the InChIKey of 5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is MFJNYZVALCVKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN4O3/c1-9-14(21-12-4-3-10(18)7-11(12)19)13-15(22(2)16(9)25)20-8-23(5-6-24)17(13)26/h3-4,7-8,21,24H,5-6H2,1-2H3.
What are the key properties of 5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 423.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 24966078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).