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

C15H22N6O2 — CID 133305982

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

[1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133305982) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is [1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

• Compound Name: [1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
• PubChem CID: 133305982
• Molecular Formula: C15H22N6O2
• Molecular Weight: 318.38 g/mol
• Exact Mass: 318.18
• IUPAC Name: [1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
• SMILES: Cc1noc(CCNc2cc(N3CCCC(CO)C3)ncn2)n1
• InChI: InChI=1S/C15H22N6O2/c1-11-19-15(23-20-11)4-5-16-13-7-14(18-10-17-13)21-6-2-3-12(8-21)9-22/h7,10,12,22H,2-6,8-9H2,1H3,(H,16,17,18)
• InChIKey: DTPJBUZGZOXOKF-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 100.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.38
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133305982) is [1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

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

The canonical SMILES for [1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is Cc1noc(CCNc2cc(N3CCCC(CO)C3)ncn2)n1.

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

The InChIKey is DTPJBUZGZOXOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-11-19-15(23-20-11)4-5-16-13-7-14(18-10-17-13)21-6-2-3-12(8-21)9-22/h7,10,12,22H,2-6,8-9H2,1H3,(H,16,17,18).

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

[1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 318.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133305982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).