4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

C29H36N10O3 — CID 59244571

About 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 59244571) has the molecular formula C29H36N10O3 and a molecular weight of 572.67 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
• PubChem CID: 59244571
• Molecular Formula: C29H36N10O3
• Molecular Weight: 572.67 g/mol
• Exact Mass: 572.30
• IUPAC Name: 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
• SMILES: CCN1CCN(C(=O)c2ccc(NC(=O)N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)c(C)c2)CC1
• InChI: InChI=1S/C29H36N10O3/c1-3-36-8-10-37(11-9-36)26(40)20-4-5-23(19(2)16-20)33-29(41)39-7-6-22-24(21-17-31-27(30)32-18-21)34-28(35-25(22)39)38-12-14-42-15-13-38/h4-5,16-18H,3,6-15H2,1-2H3,(H,33,41)(H2,30,31,32)
• InChIKey: YKXXNBKVEBNSJR-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 145.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.67
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

The IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 59244571) is 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-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-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is CCN1CCN(C(=O)c2ccc(NC(=O)N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)c(C)c2)CC1.

What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

The InChIKey is YKXXNBKVEBNSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N10O3/c1-3-36-8-10-37(11-9-36)26(40)20-4-5-23(19(2)16-20)33-29(41)39-7-6-22-24(21-17-31-27(30)32-18-21)34-28(35-25(22)39)38-12-14-42-15-13-38/h4-5,16-18H,3,6-15H2,1-2H3,(H,33,41)(H2,30,31,32).

What are the key properties of 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 572.67 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 59244571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).