6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H26F3N3O2 — CID 24929989

About 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24929989) has the molecular formula C25H26F3N3O2 and a molecular weight of 457.50 g/mol. Its IUPAC name is 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24929989
• Molecular Formula: C25H26F3N3O2
• Molecular Weight: 457.50 g/mol
• Exact Mass: 457.20
• IUPAC Name: 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CCOc1ccc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)cc1OCC
• InChI: InChI=1S/C25H26F3N3O2/c1-3-32-22-10-5-17(13-23(22)33-4-2)15-31-12-11-21-19(16-31)14-29-24(30-21)18-6-8-20(9-7-18)25(26,27)28/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3
• InChIKey: CXTMWZPDCOJSLQ-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 47.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.50
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24929989) is 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCOc1ccc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)cc1OCC.

What is the InChIKey of 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is CXTMWZPDCOJSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2/c1-3-32-22-10-5-17(13-23(22)33-4-2)15-31-12-11-21-19(16-31)14-29-24(30-21)18-6-8-20(9-7-18)25(26,27)28/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3.

What are the key properties of 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 457.50 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24929989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).