ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione

C34H37F2N3O5 — CID 144833171

About ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione

ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 144833171) has the molecular formula C34H37F2N3O5 and a molecular weight of 605.68 g/mol. Its IUPAC name is ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

• Compound Name: ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
• PubChem CID: 144833171
• Molecular Formula: C34H37F2N3O5
• Molecular Weight: 605.68 g/mol
• Exact Mass: 605.27
• IUPAC Name: ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
• SMILES: CC.CC.COc1ccc(Cn2c(=O)c3c(Oc4ccc(F)cc4C)cc(=O)n(C)c3n(-c3ccc(C)cc3F)c2=O)cc1
• InChI: InChI=1S/C30H25F2N3O5.2C2H6/c1-17-5-11-23(22(32)13-17)35-28-27(29(37)34(30(35)38)16-19-6-9-21(39-4)10-7-19)25(15-26(36)33(28)3)40-24-12-8-20(31)14-18(24)2;2*1-2/h5-15H,16H2,1-4H3;2*1-2H3
• InChIKey: BVLYADNAMLECJV-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 84.46 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.68
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?

The IUPAC name of ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 144833171) is ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione.

What is the SMILES notation for ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?

The canonical SMILES for ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione is CC.CC.COc1ccc(Cn2c(=O)c3c(Oc4ccc(F)cc4C)cc(=O)n(C)c3n(-c3ccc(C)cc3F)c2=O)cc1.

What is the InChIKey of ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?

The InChIKey is BVLYADNAMLECJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N3O5.2C2H6/c1-17-5-11-23(22(32)13-17)35-28-27(29(37)34(30(35)38)16-19-6-9-21(39-4)10-7-19)25(15-26(36)33(28)3)40-24-12-8-20(31)14-18(24)2;2*1-2/h5-15H,16H2,1-4H3;2*1-2H3.

What are the key properties of ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?

ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 605.68 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 144833171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).