[5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C25H30N10O2 — CID 59244568

About [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 59244568) has the molecular formula C25H30N10O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
• PubChem CID: 59244568
• Molecular Formula: C25H30N10O2
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.26
• IUPAC Name: [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
• SMILES: CN1CCN(C(=O)c2cncc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)c2)CC1
• InChI: InChI=1S/C25H30N10O2/c1-32-4-6-33(7-5-32)23(36)17-12-19(16-27-13-17)35-3-2-20-21(18-14-28-24(26)29-15-18)30-25(31-22(20)35)34-8-10-37-11-9-34/h12-16H,2-11H2,1H3,(H2,26,28,29)
• InChIKey: FSUCEMOGNYKIMJ-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 129.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?

The IUPAC name of [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 59244568) is [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

What is the SMILES notation for [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?

The canonical SMILES for [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cncc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)c2)CC1.

What is the InChIKey of [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?

The InChIKey is FSUCEMOGNYKIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N10O2/c1-32-4-6-33(7-5-32)23(36)17-12-19(16-27-13-17)35-3-2-20-21(18-14-28-24(26)29-15-18)30-25(31-22(20)35)34-8-10-37-11-9-34/h12-16H,2-11H2,1H3,(H2,26,28,29).

What are the key properties of [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?

[5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 502.58 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59244568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).