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

C22H20F3N3 — CID 24930273

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

7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930273) has the molecular formula C22H20F3N3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 24930273
• Molecular Formula: C22H20F3N3
• Molecular Weight: 383.42 g/mol
• Exact Mass: 383.16
• IUPAC Name: 7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: Cc1ccccc1CN1CCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C1
• InChI: InChI=1S/C22H20F3N3/c1-15-4-2-3-5-18(15)13-28-11-10-17-12-26-21(27-20(17)14-28)16-6-8-19(9-7-16)22(23,24)25/h2-9,12H,10-11,13-14H2,1H3
• InChIKey: WCXJLMPJICGYQK-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.42
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930273) is 7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

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

The canonical SMILES for 7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1ccccc1CN1CCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C1.

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

The InChIKey is WCXJLMPJICGYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3/c1-15-4-2-3-5-18(15)13-28-11-10-17-12-26-21(27-20(17)14-28)16-6-8-19(9-7-16)22(23,24)25/h2-9,12H,10-11,13-14H2,1H3.

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

7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 383.42 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).