(3R)-1-(5-chloropyrimidin-2-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol

C14H19ClN6O2 — CID 128971973

About (3R)-1-(5-chloropyrimidin-2-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol

(3R)-1-(5-chloropyrimidin-2-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol (PubChem CID 128971973) has the molecular formula C14H19ClN6O2 and a molecular weight of 338.80 g/mol. Its IUPAC name is (3R)-1-(5-chloropyrimidin-2-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R)-1-(5-chloropyrimidin-2-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
• PubChem CID: 128971973
• Molecular Formula: C14H19ClN6O2
• Molecular Weight: 338.80 g/mol
• Exact Mass: 338.13
• IUPAC Name: (3R)-1-(5-chloropyrimidin-2-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
• SMILES: CCN(Cc1nnc(C)o1)C1CN(c2ncc(Cl)cn2)C[C@H]1O
• InChI: InChI=1S/C14H19ClN6O2/c1-3-20(8-13-19-18-9(2)23-13)11-6-21(7-12(11)22)14-16-4-10(15)5-17-14/h4-5,11-12,22H,3,6-8H2,1-2H3/t11?,12-/m1/s1
• InChIKey: IRTXGLWPCPYUNZ-PIJUOVFKSA-N
• XLogP: 0.89
• 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	338.80
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (3R)-1-(5-chloropyrimidin-2-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol (CID 128971973) is (3R)-1-(5-chloropyrimidin-2-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol.

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

The canonical SMILES for (3R)-1-(5-chloropyrimidin-2-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol is CCN(Cc1nnc(C)o1)C1CN(c2ncc(Cl)cn2)C[C@H]1O.

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

The InChIKey is IRTXGLWPCPYUNZ-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H19ClN6O2/c1-3-20(8-13-19-18-9(2)23-13)11-6-21(7-12(11)22)14-16-4-10(15)5-17-14/h4-5,11-12,22H,3,6-8H2,1-2H3/t11?,12-/m1/s1.

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

(3R)-1-(5-chloropyrimidin-2-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol has a molecular weight of 338.80 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(5-chloropyrimidin-2-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol is sourced from PubChem (CID 128971973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).