5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine

C20H23N5O — CID 165396731

About 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine

5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine (PubChem CID 165396731) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine.

Molecular Properties

• Compound Name: 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine
• PubChem CID: 165396731
• Molecular Formula: C20H23N5O
• Molecular Weight: 349.44 g/mol
• Exact Mass: 349.19
• IUPAC Name: 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine
• SMILES: CN.O=Cc1cc2cc(-c3nc(N4CCC4)nc4c3CCC4)ccc2[nH]1
• InChI: InChI=1S/C19H18N4O.CH5N/c24-11-14-10-13-9-12(5-6-16(13)20-14)18-15-3-1-4-17(15)21-19(22-18)23-7-2-8-23;1-2/h5-6,9-11,20H,1-4,7-8H2;2H2,1H3
• InChIKey: IACAFLSJTMCTAO-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 87.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.44
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine?

The IUPAC name of 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine (CID 165396731) is 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine.

What is the SMILES notation for 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine?

The canonical SMILES for 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine is CN.O=Cc1cc2cc(-c3nc(N4CCC4)nc4c3CCC4)ccc2[nH]1.

What is the InChIKey of 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine?

The InChIKey is IACAFLSJTMCTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.CH5N/c24-11-14-10-13-9-12(5-6-16(13)20-14)18-15-3-1-4-17(15)21-19(22-18)23-7-2-8-23;1-2/h5-6,9-11,20H,1-4,7-8H2;2H2,1H3.

What are the key properties of 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine?

5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine has a molecular weight of 349.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine is sourced from PubChem (CID 165396731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).