2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol

C23H22N6O2 — CID 167544514

About 2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol

2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol (PubChem CID 167544514) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol.

Molecular Properties

• Compound Name: 2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol
• PubChem CID: 167544514
• Molecular Formula: C23H22N6O2
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.18
• IUPAC Name: 2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol
• SMILES: Cc1cccc(-c2nccc(Nc3ccnc(Cc4ccc(OCCO)cc4)n3)n2)n1
• InChI: InChI=1S/C23H22N6O2/c1-16-3-2-4-19(26-16)23-25-12-10-21(29-23)27-20-9-11-24-22(28-20)15-17-5-7-18(8-6-17)31-14-13-30/h2-12,30H,13-15H2,1H3,(H,24,25,27,28,29)
• InChIKey: BPPADLFOLOTIKN-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 105.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol (CID 167544514) is 2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol.

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

The canonical SMILES for 2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol is Cc1cccc(-c2nccc(Nc3ccnc(Cc4ccc(OCCO)cc4)n3)n2)n1.

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

The InChIKey is BPPADLFOLOTIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16-3-2-4-19(26-16)23-25-12-10-21(29-23)27-20-9-11-24-22(28-20)15-17-5-7-18(8-6-17)31-14-13-30/h2-12,30H,13-15H2,1H3,(H,24,25,27,28,29).

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

2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol has a molecular weight of 414.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 167544514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).