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

C27H36N10O3 — CID 71017236

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

4-(2-aminopyrimidin-5-yl)-N-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 71017236) has the molecular formula C27H36N10O3 and a molecular weight of 548.65 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-N-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 4-(2-aminopyrimidin-5-yl)-N-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
• PubChem CID: 71017236
• Molecular Formula: C27H36N10O3
• Molecular Weight: 548.65 g/mol
• Exact Mass: 548.30
• IUPAC Name: 4-(2-aminopyrimidin-5-yl)-N-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
• SMILES: CN(CCO)CCNc1ccc(N(C)C(=O)N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)cc1
• InChI: InChI=1S/C27H36N10O3/c1-34(11-14-38)10-8-29-20-3-5-21(6-4-20)35(2)27(39)37-9-7-22-23(19-17-30-25(28)31-18-19)32-26(33-24(22)37)36-12-15-40-16-13-36/h3-6,17-18,29,38H,7-16H2,1-2H3,(H2,28,30,31)
• InChIKey: VCPYUUWDGQDXLU-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 149.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.65
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 71017236) is 4-(2-aminopyrimidin-5-yl)-N-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-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-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-N-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is CN(CCO)CCNc1ccc(N(C)C(=O)N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)cc1.

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

The InChIKey is VCPYUUWDGQDXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N10O3/c1-34(11-14-38)10-8-29-20-3-5-21(6-4-20)35(2)27(39)37-9-7-22-23(19-17-30-25(28)31-18-19)32-26(33-24(22)37)36-12-15-40-16-13-36/h3-6,17-18,29,38H,7-16H2,1-2H3,(H2,28,30,31).

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

4-(2-aminopyrimidin-5-yl)-N-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 548.65 g/mol, XLogP of 1.31, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminopyrimidin-5-yl)-N-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 71017236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).