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

C33H42N4O2 — CID 78044655

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

2-(2,5-dimethylphenyl)-4-(4-methoxy-2-methylpiperidin-1-yl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 78044655) has the molecular formula C33H42N4O2 and a molecular weight of 526.73 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4-(4-methoxy-2-methylpiperidin-1-yl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(2,5-dimethylphenyl)-4-(4-methoxy-2-methylpiperidin-1-yl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 78044655
• Molecular Formula: C33H42N4O2
• Molecular Weight: 526.73 g/mol
• Exact Mass: 526.33
• IUPAC Name: 2-(2,5-dimethylphenyl)-4-(4-methoxy-2-methylpiperidin-1-yl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COC1CCN(c2nc(-c3cc(C)ccc3C)nc3c2CN(c2cc(C4(C)COC4)ccc2C)CC3)C(C)C1
• InChI: InChI=1S/C33H42N4O2/c1-21-7-8-22(2)27(15-21)31-34-29-12-13-36(30-17-25(10-9-23(30)3)33(5)19-39-20-33)18-28(29)32(35-31)37-14-11-26(38-6)16-24(37)4/h7-10,15,17,24,26H,11-14,16,18-20H2,1-6H3
• InChIKey: FRACOGIMUWNCCS-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.73
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(2,5-dimethylphenyl)-4-(4-methoxy-2-methylpiperidin-1-yl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 78044655) is 2-(2,5-dimethylphenyl)-4-(4-methoxy-2-methylpiperidin-1-yl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-(2,5-dimethylphenyl)-4-(4-methoxy-2-methylpiperidin-1-yl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COC1CCN(c2nc(-c3cc(C)ccc3C)nc3c2CN(c2cc(C4(C)COC4)ccc2C)CC3)C(C)C1.

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

The InChIKey is FRACOGIMUWNCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N4O2/c1-21-7-8-22(2)27(15-21)31-34-29-12-13-36(30-17-25(10-9-23(30)3)33(5)19-39-20-33)18-28(29)32(35-31)37-14-11-26(38-6)16-24(37)4/h7-10,15,17,24,26H,11-14,16,18-20H2,1-6H3.

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

2-(2,5-dimethylphenyl)-4-(4-methoxy-2-methylpiperidin-1-yl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 526.73 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethylphenyl)-4-(4-methoxy-2-methylpiperidin-1-yl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 78044655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).