7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

C25H28N8 — CID 155161286

About 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 155161286) has the molecular formula C25H28N8 and a molecular weight of 440.56 g/mol. Its IUPAC name is 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 155161286
• Molecular Formula: C25H28N8
• Molecular Weight: 440.56 g/mol
• Exact Mass: 440.24
• IUPAC Name: 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: CN1CCN(c2ccc(Nc3ncc4cc(C5CC5)n(-c5cccc(N)n5)c4n3)cc2)CC1
• InChI: InChI=1S/C25H28N8/c1-31-11-13-32(14-12-31)20-9-7-19(8-10-20)28-25-27-16-18-15-21(17-5-6-17)33(24(18)30-25)23-4-2-3-22(26)29-23/h2-4,7-10,15-17H,5-6,11-14H2,1H3,(H2,26,29)(H,27,28,30)
• InChIKey: YDSWDLZHCHTSBJ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 88.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.56
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 155161286) is 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine is CN1CCN(c2ccc(Nc3ncc4cc(C5CC5)n(-c5cccc(N)n5)c4n3)cc2)CC1.

What is the InChIKey of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is YDSWDLZHCHTSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8/c1-31-11-13-32(14-12-31)20-9-7-19(8-10-20)28-25-27-16-18-15-21(17-5-6-17)33(24(18)30-25)23-4-2-3-22(26)29-23/h2-4,7-10,15-17H,5-6,11-14H2,1H3,(H2,26,29)(H,27,28,30).

What are the key properties of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 440.56 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 155161286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).