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

C30H35F3N4O — CID 71244773

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

2-(2,6-dimethylphenyl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71244773) has the molecular formula C30H35F3N4O and a molecular weight of 524.63 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-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-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 71244773
• Molecular Formula: C30H35F3N4O
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.28
• IUPAC Name: 2-(2,6-dimethylphenyl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(F)(F)F)ccc2C)CC3)[C@H](C)C1
• InChI: InChI=1S/C30H35F3N4O/c1-18-9-10-22(30(31,32)33)16-26(18)36-13-12-25-24(17-36)29(37-14-11-23(38-5)15-21(37)4)35-28(34-25)27-19(2)7-6-8-20(27)3/h6-10,16,21,23H,11-15,17H2,1-5H3/t21-,23-/m1/s1
• InChIKey: OXYLQOUCCVNCKS-FYYLOGMGSA-N
• XLogP: 6.65
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-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-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71244773) is 2-(2,6-dimethylphenyl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-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-[(2R,4R)-4-methoxy-2-methylpiperidin-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-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(F)(F)F)ccc2C)CC3)[C@H](C)C1.

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

The InChIKey is OXYLQOUCCVNCKS-FYYLOGMGSA-N. The full InChI is InChI=1S/C30H35F3N4O/c1-18-9-10-22(30(31,32)33)16-26(18)36-13-12-25-24(17-36)29(37-14-11-23(38-5)15-21(37)4)35-28(34-25)27-19(2)7-6-8-20(27)3/h6-10,16,21,23H,11-15,17H2,1-5H3/t21-,23-/m1/s1.

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

2-(2,6-dimethylphenyl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 524.63 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenyl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71244773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).