2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C30H35F3N4 — CID 129113781

About 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 129113781) has the molecular formula C30H35F3N4 and a molecular weight of 508.63 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 129113781
• Molecular Formula: C30H35F3N4
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.28
• IUPAC Name: 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1ccc(C(F)(F)F)cc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCCC(C)(C)C3)c2C1
• InChI: InChI=1S/C30H35F3N4/c1-19-10-11-22(30(31,32)33)16-25(19)36-15-12-24-23(17-36)28(37-14-7-13-29(4,5)18-37)35-27(34-24)26-20(2)8-6-9-21(26)3/h6,8-11,16H,7,12-15,17-18H2,1-5H3
• InChIKey: SXTVKYIWMYBOCE-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 129113781) is 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(C(F)(F)F)cc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCCC(C)(C)C3)c2C1.

What is the InChIKey of 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is SXTVKYIWMYBOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N4/c1-19-10-11-22(30(31,32)33)16-25(19)36-15-12-24-23(17-36)28(37-14-7-13-29(4,5)18-37)35-27(34-24)26-20(2)8-6-9-21(26)3/h6,8-11,16H,7,12-15,17-18H2,1-5H3.

What are the key properties of 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 508.63 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 129113781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).