[1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol

C15H22N6O2 — CID 133463281

About [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133463281) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

• Compound Name: [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
• PubChem CID: 133463281
• Molecular Formula: C15H22N6O2
• Molecular Weight: 318.38 g/mol
• Exact Mass: 318.18
• IUPAC Name: [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
• SMILES: Cc1nc(CN(C)c2cc(N3CCCC(CO)C3)ncn2)no1
• InChI: InChI=1S/C15H22N6O2/c1-11-18-13(19-23-11)8-20(2)14-6-15(17-10-16-14)21-5-3-4-12(7-21)9-22/h6,10,12,22H,3-5,7-9H2,1-2H3
• InChIKey: PCKLLQADZBFZEK-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.38
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?

The IUPAC name of [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133463281) is [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol.

What is the SMILES notation for [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?

The canonical SMILES for [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol is Cc1nc(CN(C)c2cc(N3CCCC(CO)C3)ncn2)no1.

What is the InChIKey of [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?

The InChIKey is PCKLLQADZBFZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-11-18-13(19-23-11)8-20(2)14-6-15(17-10-16-14)21-5-3-4-12(7-21)9-22/h6,10,12,22H,3-5,7-9H2,1-2H3.

What are the key properties of [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?

[1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 318.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133463281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).