4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine

C25H26N8 — CID 166035896

About 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine

4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 166035896) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 166035896
• Molecular Formula: C25H26N8
• Molecular Weight: 438.54 g/mol
• Exact Mass: 438.23
• IUPAC Name: 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine
• SMILES: Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(C5CCNCC5)cc4)n3)n2)n1
• InChI: InChI=1S/C25H26N8/c1-17-3-2-4-21(29-17)24-27-15-11-22(32-24)31-23-12-16-28-25(33-23)30-20-7-5-18(6-8-20)19-9-13-26-14-10-19/h2-8,11-12,15-16,19,26H,9-10,13-14H2,1H3,(H2,27,28,30,31,32,33)
• InChIKey: YHLVWFTYDSVKGD-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 100.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.54
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine (CID 166035896) is 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine is Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(C5CCNCC5)cc4)n3)n2)n1.

What is the InChIKey of 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine?

The InChIKey is YHLVWFTYDSVKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8/c1-17-3-2-4-21(29-17)24-27-15-11-22(32-24)31-23-12-16-28-25(33-23)30-20-7-5-18(6-8-20)19-9-13-26-14-10-19/h2-8,11-12,15-16,19,26H,9-10,13-14H2,1H3,(H2,27,28,30,31,32,33).

What are the key properties of 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine?

4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 438.54 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 166035896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).