2-[4-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]ethanol

C25H23N9O — CID 166036089

About 2-[4-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]ethanol

2-[4-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]ethanol (PubChem CID 166036089) has the molecular formula C25H23N9O and a molecular weight of 465.52 g/mol. Its IUPAC name is 2-[4-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]ethanol
• PubChem CID: 166036089
• Molecular Formula: C25H23N9O
• Molecular Weight: 465.52 g/mol
• Exact Mass: 465.20
• IUPAC Name: 2-[4-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]ethanol
• SMILES: Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(-c5cnn(CCO)c5)cc4)n3)n2)n1
• InChI: InChI=1S/C25H23N9O/c1-17-3-2-4-21(29-17)24-26-11-9-22(32-24)31-23-10-12-27-25(33-23)30-20-7-5-18(6-8-20)19-15-28-34(16-19)13-14-35/h2-12,15-16,35H,13-14H2,1H3,(H2,26,27,30,31,32,33)
• InChIKey: UYZKVNCHEKDQFV-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 126.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.52
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[4-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]ethanol (CID 166036089) is 2-[4-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]ethanol.

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

The canonical SMILES for 2-[4-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]ethanol is Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(-c5cnn(CCO)c5)cc4)n3)n2)n1.

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

The InChIKey is UYZKVNCHEKDQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N9O/c1-17-3-2-4-21(29-17)24-26-11-9-22(32-24)31-23-10-12-27-25(33-23)30-20-7-5-18(6-8-20)19-15-28-34(16-19)13-14-35/h2-12,15-16,35H,13-14H2,1H3,(H2,26,27,30,31,32,33).

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

2-[4-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]ethanol has a molecular weight of 465.52 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 166036089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).