4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

C29H38N10O3 — CID 59244512

About 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 59244512) has the molecular formula C29H38N10O3 and a molecular weight of 574.69 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
• PubChem CID: 59244512
• Molecular Formula: C29H38N10O3
• Molecular Weight: 574.69 g/mol
• Exact Mass: 574.31
• IUPAC Name: 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
• SMILES: CN(CCCN1CCOCC1)c1ccc(NC(=O)N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)cc1
• InChI: InChI=1S/C29H38N10O3/c1-36(8-2-9-37-11-15-41-16-12-37)23-5-3-22(4-6-23)33-29(40)39-10-7-24-25(21-19-31-27(30)32-20-21)34-28(35-26(24)39)38-13-17-42-18-14-38/h3-6,19-20H,2,7-18H2,1H3,(H,33,40)(H2,30,31,32)
• InChIKey: FZQZNHHGFJFYFY-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 138.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.69
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

The IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 59244512) is 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is CN(CCCN1CCOCC1)c1ccc(NC(=O)N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)cc1.

What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

The InChIKey is FZQZNHHGFJFYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N10O3/c1-36(8-2-9-37-11-15-41-16-12-37)23-5-3-22(4-6-23)33-29(40)39-10-7-24-25(21-19-31-27(30)32-20-21)34-28(35-26(24)39)38-13-17-42-18-14-38/h3-6,19-20H,2,7-18H2,1H3,(H,33,40)(H2,30,31,32).

What are the key properties of 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 574.69 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 59244512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).