N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide

C27H33N9O2 — CID 68985507

About N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide

N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 68985507) has the molecular formula C27H33N9O2 and a molecular weight of 515.62 g/mol. Its IUPAC name is N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
• PubChem CID: 68985507
• Molecular Formula: C27H33N9O2
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.28
• IUPAC Name: N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
• SMILES: Cc1cc(Nc2nccc(-c3ccc(NC(=O)CN4CCOCC4)nc3)n2)cnc1N1CC2CC1CN2C
• InChI: InChI=1S/C27H33N9O2/c1-18-11-20(14-30-26(18)36-16-21-12-22(36)15-34(21)2)31-27-28-6-5-23(32-27)19-3-4-24(29-13-19)33-25(37)17-35-7-9-38-10-8-35/h3-6,11,13-14,21-22H,7-10,12,15-17H2,1-2H3,(H,28,31,32)(H,29,33,37)
• InChIKey: QYVMHJAYZZGLNN-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 111.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

The IUPAC name of N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide (CID 68985507) is N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide.

What is the SMILES notation for N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

The canonical SMILES for N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide is Cc1cc(Nc2nccc(-c3ccc(NC(=O)CN4CCOCC4)nc3)n2)cnc1N1CC2CC1CN2C.

What is the InChIKey of N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

The InChIKey is QYVMHJAYZZGLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9O2/c1-18-11-20(14-30-26(18)36-16-21-12-22(36)15-34(21)2)31-27-28-6-5-23(32-27)19-3-4-24(29-13-19)33-25(37)17-35-7-9-38-10-8-35/h3-6,11,13-14,21-22H,7-10,12,15-17H2,1-2H3,(H,28,31,32)(H,29,33,37).

What are the key properties of N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 515.62 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 68985507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).