2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C21H31N5O — CID 92625516

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 92625516) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• PubChem CID: 92625516
• Molecular Formula: C21H31N5O
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.25
• IUPAC Name: 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• SMILES: CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)C[C@@H]1C=CCC1)C2
• InChI: InChI=1S/C21H31N5O/c1-22-21-17-9-12-26(19(27)13-15-5-3-4-6-15)14-18(17)23-20(24-21)16-7-10-25(2)11-8-16/h3,5,15-16H,4,6-14H2,1-2H3,(H,22,23,24)/t15-/m1/s1
• InChIKey: YDJZPURBHQESQW-OAHLLOKOSA-N
• XLogP: 2.57
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 92625516) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

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

The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)C[C@@H]1C=CCC1)C2.

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

The InChIKey is YDJZPURBHQESQW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H31N5O/c1-22-21-17-9-12-26(19(27)13-15-5-3-4-6-15)14-18(17)23-20(24-21)16-7-10-25(2)11-8-16/h3,5,15-16H,4,6-14H2,1-2H3,(H,22,23,24)/t15-/m1/s1.

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

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 369.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 92625516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).