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

C25H30N10O2 — CID 59244337

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

[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 59244337) has the molecular formula C25H30N10O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is [4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
• PubChem CID: 59244337
• Molecular Formula: C25H30N10O2
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.26
• IUPAC Name: [4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
• SMILES: CN1CCN(C(=O)c2cc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)ccn2)CC1
• InChI: InChI=1S/C25H30N10O2/c1-32-6-8-33(9-7-32)23(36)20-14-18(2-4-27-20)35-5-3-19-21(17-15-28-24(26)29-16-17)30-25(31-22(19)35)34-10-12-37-13-11-34/h2,4,14-16H,3,5-13H2,1H3,(H2,26,28,29)
• InChIKey: QYTYBJUOTNVWBP-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 [4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?

The IUPAC name of [4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 59244337) is [4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

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

The canonical SMILES for [4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)ccn2)CC1.

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

The InChIKey is QYTYBJUOTNVWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N10O2/c1-32-6-8-33(9-7-32)23(36)20-14-18(2-4-27-20)35-5-3-19-21(17-15-28-24(26)29-16-17)30-25(31-22(19)35)34-10-12-37-13-11-34/h2,4,14-16H,3,5-13H2,1H3,(H2,26,28,29).

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

[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-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 [4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59244337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).