N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

C24H24N8O2 — CID 122316885

About N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 122316885) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
• PubChem CID: 122316885
• Molecular Formula: C24H24N8O2
• Molecular Weight: 456.51 g/mol
• Exact Mass: 456.20
• IUPAC Name: N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
• SMILES: Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)Cn4cnc(C)cc4=O)cc3)nc(C)n2)c1
• InChI: InChI=1S/C24H24N8O2/c1-15-8-9-25-20(10-15)31-22-12-21(27-17(3)28-22)29-18-4-6-19(7-5-18)30-23(33)13-32-14-26-16(2)11-24(32)34/h4-12,14H,13H2,1-3H3,(H,30,33)(H2,25,27,28,29,31)
• InChIKey: ZQWAUMUZKFIZJM-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 126.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.51
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?

The IUPAC name of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 122316885) is N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

What is the SMILES notation for N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?

The canonical SMILES for N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)Cn4cnc(C)cc4=O)cc3)nc(C)n2)c1.

What is the InChIKey of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?

The InChIKey is ZQWAUMUZKFIZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-15-8-9-25-20(10-15)31-22-12-21(27-17(3)28-22)29-18-4-6-19(7-5-18)30-23(33)13-32-14-26-16(2)11-24(32)34/h4-12,14H,13H2,1-3H3,(H,30,33)(H2,25,27,28,29,31).

What are the key properties of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?

N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 456.51 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 122316885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).