2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone

C₂₀H₂₅N₅O₃ — CID 157030240

About 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone

2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone (PubChem CID 157030240) has the molecular formula C₂₀H₂₅N₅O₃ and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone
• PubChem CID: 157030240
• Molecular Formula: C₂₀H₂₅N₅O₃
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone
• SMILES: COc1ccnc(-c2nc3c(c(N(C)CC(=O)N4CCOCC4)n2)CCC3)c1
• InChI: InChI=1S/C20H25N5O3/c1-24(13-18(26)25-8-10-28-11-9-25)20-15-4-3-5-16(15)22-19(23-20)17-12-14(27-2)6-7-21-17/h6-7,12H,3-5,8-11,13H2,1-2H3
• InChIKey: QBGIMEDJBRPFHL-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 80.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone?

The IUPAC name of 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone (CID 157030240) is 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone.

What is the SMILES notation for 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone?

The canonical SMILES for 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone is COc1ccnc(-c2nc3c(c(N(C)CC(=O)N4CCOCC4)n2)CCC3)c1.

What is the InChIKey of 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone?

The InChIKey is QBGIMEDJBRPFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-24(13-18(26)25-8-10-28-11-9-25)20-15-4-3-5-16(15)22-19(23-20)17-12-14(27-2)6-7-21-17/h6-7,12H,3-5,8-11,13H2,1-2H3.

What are the key properties of 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone?

2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone has a molecular weight of 383.45 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 157030240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157030240 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.