N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide

C22H28N4O — CID 124679998

About N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide (PubChem CID 124679998) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
• PubChem CID: 124679998
• Molecular Formula: C22H28N4O
• Molecular Weight: 364.49 g/mol
• Exact Mass: 364.23
• IUPAC Name: N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
• SMILES: Cc1nc(CCNC(=O)CN2CC[C@H](c3ccccc3)C2)nc2c1CCC2
• InChI: InChI=1S/C22H28N4O/c1-16-19-8-5-9-20(19)25-21(24-16)10-12-23-22(27)15-26-13-11-18(14-26)17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3,(H,23,27)/t18-/m0/s1
• InChIKey: BSHBXOUUDVMXIU-SFHVURJKSA-N
• XLogP: 2.42
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.49
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?

The IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide (CID 124679998) is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide.

What is the SMILES notation for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?

The canonical SMILES for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide is Cc1nc(CCNC(=O)CN2CC[C@H](c3ccccc3)C2)nc2c1CCC2.

What is the InChIKey of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?

The InChIKey is BSHBXOUUDVMXIU-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N4O/c1-16-19-8-5-9-20(19)25-21(24-16)10-12-23-22(27)15-26-13-11-18(14-26)17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3,(H,23,27)/t18-/m0/s1.

What are the key properties of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124679998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).