4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C33H44N4 — CID 129113566

About 4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 129113566) has the molecular formula C33H44N4 and a molecular weight of 496.74 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 129113566
• Molecular Formula: C33H44N4
• Molecular Weight: 496.74 g/mol
• Exact Mass: 496.36
• IUPAC Name: 4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1cc(C)c(-c2nc3c(c(N4CCCC(C)(C)C4)n2)CN(c2cc(C(C)C)ccc2C)CC3)c(C)c1
• InChI: InChI=1S/C33H44N4/c1-21(2)26-11-10-23(4)29(18-26)36-15-12-28-27(19-36)32(37-14-9-13-33(7,8)20-37)35-31(34-28)30-24(5)16-22(3)17-25(30)6/h10-11,16-18,21H,9,12-15,19-20H2,1-8H3
• InChIKey: FQMZLXFUCMELNI-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.74
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 129113566) is 4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cc(C)c(-c2nc3c(c(N4CCCC(C)(C)C4)n2)CN(c2cc(C(C)C)ccc2C)CC3)c(C)c1.

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

The InChIKey is FQMZLXFUCMELNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4/c1-21(2)26-11-10-23(4)29(18-26)36-15-12-28-27(19-36)32(37-14-9-13-33(7,8)20-37)35-31(34-28)30-24(5)16-22(3)17-25(30)6/h10-11,16-18,21H,9,12-15,19-20H2,1-8H3.

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

4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 496.74 g/mol, XLogP of 7.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 129113566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).