2-[(2R)-4-[2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide

C33H42N6O2 — CID 71495713

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

2-[(2R)-4-[2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide (PubChem CID 71495713) has the molecular formula C33H42N6O2 and a molecular weight of 554.74 g/mol. Its IUPAC name is 2-[(2R)-4-[2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-4-[2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide
• PubChem CID: 71495713
• Molecular Formula: C33H42N6O2
• Molecular Weight: 554.74 g/mol
• Exact Mass: 554.34
• IUPAC Name: 2-[(2R)-4-[2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide
• SMILES: Cc1ccc(C2(C)COC2)cc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCN(CC(N)=O)[C@H](C)C3)c2C1
• InChI: InChI=1S/C33H42N6O2/c1-21-9-10-25(33(5)19-41-20-33)15-28(21)38-12-11-27-26(17-38)32(39-14-13-37(18-29(34)40)24(4)16-39)36-31(35-27)30-22(2)7-6-8-23(30)3/h6-10,15,24H,11-14,16-20H2,1-5H3,(H2,34,40)/t24-/m1/s1
• InChIKey: MGNDGBZRIINHHV-XMMPIXPASA-N
• XLogP: 3.92
• TPSA: 87.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.74
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[(2R)-4-[2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide (CID 71495713) is 2-[(2R)-4-[2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide.

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

The canonical SMILES for 2-[(2R)-4-[2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide is Cc1ccc(C2(C)COC2)cc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCN(CC(N)=O)[C@H](C)C3)c2C1.

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

The InChIKey is MGNDGBZRIINHHV-XMMPIXPASA-N. The full InChI is InChI=1S/C33H42N6O2/c1-21-9-10-25(33(5)19-41-20-33)15-28(21)38-12-11-27-26(17-38)32(39-14-13-37(18-29(34)40)24(4)16-39)36-31(35-27)30-22(2)7-6-8-23(30)3/h6-10,15,24H,11-14,16-20H2,1-5H3,(H2,34,40)/t24-/m1/s1.

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

2-[(2R)-4-[2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide has a molecular weight of 554.74 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-4-[2-(2,6-dimethylphenyl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 71495713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).