[2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate

C34H46N8O3 — CID 170308909

About [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate

[2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate (PubChem CID 170308909) has the molecular formula C34H46N8O3 and a molecular weight of 614.80 g/mol. Its IUPAC name is [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate.

Molecular Properties

• Compound Name: [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate
• PubChem CID: 170308909
• Molecular Formula: C34H46N8O3
• Molecular Weight: 614.80 g/mol
• Exact Mass: 614.37
• IUPAC Name: [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate
• SMILES: C[C@@H]1CCc2c1nc(N1CC[C@@H]1C)nc2N1CC(CC(=O)OC(=O)CC2CN(c3nc(N4CC[C@@H]4C)nc4c3CC[C@@H]4C)C2)C1
• InChI: InChI=1S/C34H46N8O3/c1-19-5-7-25-29(19)35-33(41-11-9-21(41)3)37-31(25)39-15-23(16-39)13-27(43)45-28(44)14-24-17-40(18-24)32-26-8-6-20(2)30(26)36-34(38-32)42-12-10-22(42)4/h19-24H,5-18H2,1-4H3/t19-,20+,21-,22-/m0/s1
• InChIKey: FZIZMORMKTUHRS-LRSLUSHPSA-N
• XLogP: 3.99
• TPSA: 107.89 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.80
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate?

The IUPAC name of [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate (CID 170308909) is [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate.

What is the SMILES notation for [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate?

The canonical SMILES for [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate is C[C@@H]1CCc2c1nc(N1CC[C@@H]1C)nc2N1CC(CC(=O)OC(=O)CC2CN(c3nc(N4CC[C@@H]4C)nc4c3CC[C@@H]4C)C2)C1.

What is the InChIKey of [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate?

The InChIKey is FZIZMORMKTUHRS-LRSLUSHPSA-N. The full InChI is InChI=1S/C34H46N8O3/c1-19-5-7-25-29(19)35-33(41-11-9-21(41)3)37-31(25)39-15-23(16-39)13-27(43)45-28(44)14-24-17-40(18-24)32-26-8-6-20(2)30(26)36-34(38-32)42-12-10-22(42)4/h19-24H,5-18H2,1-4H3/t19-,20+,21-,22-/m0/s1.

What are the key properties of [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate?

[2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate has a molecular weight of 614.80 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetyl] 2-[1-[(7R)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetate is sourced from PubChem (CID 170308909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).