1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol

C13H18N6O2 — CID 135088444

About 1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol

1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 135088444) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

• Compound Name: 1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
• PubChem CID: 135088444
• Molecular Formula: C13H18N6O2
• Molecular Weight: 290.33 g/mol
• Exact Mass: 290.15
• IUPAC Name: 1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
• SMILES: Cc1nonc1CNc1nccc(N2CCCC(O)C2)n1
• InChI: InChI=1S/C13H18N6O2/c1-9-11(18-21-17-9)7-15-13-14-5-4-12(16-13)19-6-2-3-10(20)8-19/h4-5,10,20H,2-3,6-8H2,1H3,(H,14,15,16)
• InChIKey: IKSDCGGGRFGODH-UHFFFAOYSA-N
• XLogP: 0.74
• TPSA: 100.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.33
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol (CID 135088444) is 1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol.

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

The canonical SMILES for 1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol is Cc1nonc1CNc1nccc(N2CCCC(O)C2)n1.

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

The InChIKey is IKSDCGGGRFGODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-9-11(18-21-17-9)7-15-13-14-5-4-12(16-13)19-6-2-3-10(20)8-19/h4-5,10,20H,2-3,6-8H2,1H3,(H,14,15,16).

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

1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 290.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 135088444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).