1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

C18H20N6O2 — CID 50951354

About 1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 50951354) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
• PubChem CID: 50951354
• Molecular Formula: C18H20N6O2
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.16
• IUPAC Name: 1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
• SMILES: CN(Cc1nnc(-c2ccccc2)o1)c1nccc(N2CCC(O)C2)n1
• InChI: InChI=1S/C18H20N6O2/c1-23(12-16-21-22-17(26-16)13-5-3-2-4-6-13)18-19-9-7-15(20-18)24-10-8-14(25)11-24/h2-7,9,14,25H,8,10-12H2,1H3
• InChIKey: ZNIKJQGLONCLAX-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 50951354) is 1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.

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

The canonical SMILES for 1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is CN(Cc1nnc(-c2ccccc2)o1)c1nccc(N2CCC(O)C2)n1.

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

The InChIKey is ZNIKJQGLONCLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23(12-16-21-22-17(26-16)13-5-3-2-4-6-13)18-19-9-7-15(20-18)24-10-8-14(25)11-24/h2-7,9,14,25H,8,10-12H2,1H3.

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

1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 352.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 50951354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).