2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol

C18H26N6O2 — CID 110256882

About 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol

2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol (PubChem CID 110256882) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol.

Molecular Properties

• Compound Name: 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol
• PubChem CID: 110256882
• Molecular Formula: C18H26N6O2
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.21
• IUPAC Name: 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol
• SMILES: Cc1cc(C)nc(Nc2cnc(C3CCCN(C(CO)CO)C3)cn2)n1
• InChI: InChI=1S/C18H26N6O2/c1-12-6-13(2)22-18(21-12)23-17-8-19-16(7-20-17)14-4-3-5-24(9-14)15(10-25)11-26/h6-8,14-15,25-26H,3-5,9-11H2,1-2H3,(H,20,21,22,23)
• InChIKey: RJZYGFREVTVNTE-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 107.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?

The IUPAC name of 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol (CID 110256882) is 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol.

What is the SMILES notation for 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?

The canonical SMILES for 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol is Cc1cc(C)nc(Nc2cnc(C3CCCN(C(CO)CO)C3)cn2)n1.

What is the InChIKey of 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?

The InChIKey is RJZYGFREVTVNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12-6-13(2)22-18(21-12)23-17-8-19-16(7-20-17)14-4-3-5-24(9-14)15(10-25)11-26/h6-8,14-15,25-26H,3-5,9-11H2,1-2H3,(H,20,21,22,23).

What are the key properties of 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?

2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol has a molecular weight of 358.45 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol is sourced from PubChem (CID 110256882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).