2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone

C20H30N4O — CID 95850669

About 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone

2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95850669) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
• PubChem CID: 95850669
• Molecular Formula: C20H30N4O
• Molecular Weight: 342.49 g/mol
• Exact Mass: 342.24
• IUPAC Name: 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
• SMILES: CN1CCc2nc([C@@H]3CCN(C(=O)CC4CCCCC4)C3)ncc2C1
• InChI: InChI=1S/C20H30N4O/c1-23-9-8-18-17(13-23)12-21-20(22-18)16-7-10-24(14-16)19(25)11-15-5-3-2-4-6-15/h12,15-16H,2-11,13-14H2,1H3/t16-/m1/s1
• InChIKey: RKLVOYCZARZNHG-MRXNPFEDSA-N
• XLogP: 2.75
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.49
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone (CID 95850669) is 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone is CN1CCc2nc([C@@H]3CCN(C(=O)CC4CCCCC4)C3)ncc2C1.

What is the InChIKey of 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone?

The InChIKey is RKLVOYCZARZNHG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O/c1-23-9-8-18-17(13-23)12-21-20(22-18)16-7-10-24(14-16)19(25)11-15-5-3-2-4-6-15/h12,15-16H,2-11,13-14H2,1H3/t16-/m1/s1.

What are the key properties of 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone?

2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 342.49 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95850669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).