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

C32H40N4O — CID 129112951

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

2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-4-(3-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 129112951) has the molecular formula C32H40N4O and a molecular weight of 496.70 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-4-(3-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-4-(3-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 129112951
• Molecular Formula: C32H40N4O
• Molecular Weight: 496.70 g/mol
• Exact Mass: 496.32
• IUPAC Name: 2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-4-(3-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1ccc(C2(C)COC2)cc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCCC(C)C3)c2C1
• InChI: InChI=1S/C32H40N4O/c1-21-8-7-14-36(17-21)31-26-18-35(28-16-25(12-11-22(28)2)32(5)19-37-20-32)15-13-27(26)33-30(34-31)29-23(3)9-6-10-24(29)4/h6,9-12,16,21H,7-8,13-15,17-20H2,1-5H3
• InChIKey: CDYIBGORVBSQPW-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.70
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-4-(3-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 129112951) is 2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-4-(3-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-4-(3-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(C2(C)COC2)cc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCCC(C)C3)c2C1.

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

The InChIKey is CDYIBGORVBSQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O/c1-21-8-7-14-36(17-21)31-26-18-35(28-16-25(12-11-22(28)2)32(5)19-37-20-32)15-13-27(26)33-30(34-31)29-23(3)9-6-10-24(29)4/h6,9-12,16,21H,7-8,13-15,17-20H2,1-5H3.

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

2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-4-(3-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 496.70 g/mol, XLogP of 6.16, 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)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-4-(3-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 129112951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).