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

C24H24F3N3O — CID 24928330

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

6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928330) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is 6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24928330
• Molecular Formula: C24H24F3N3O
• Molecular Weight: 427.47 g/mol
• Exact Mass: 427.19
• IUPAC Name: 6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1ccc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)c(C)c1C
• InChI: InChI=1S/C24H24F3N3O/c1-15-16(2)22(31-3)9-6-18(15)13-30-11-10-21-19(14-30)12-28-23(29-21)17-4-7-20(8-5-17)24(25,26)27/h4-9,12H,10-11,13-14H2,1-3H3
• InChIKey: JURWTNFZXXJQDA-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.47
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928330) is 6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)c(C)c1C.

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

The InChIKey is JURWTNFZXXJQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-15-16(2)22(31-3)9-6-18(15)13-30-11-10-21-19(14-30)12-28-23(29-21)17-4-7-20(8-5-17)24(25,26)27/h4-9,12H,10-11,13-14H2,1-3H3.

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

6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 427.47 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).