(2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol

C23H27N9O2 — CID 56953240

About (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol

(2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol (PubChem CID 56953240) has the molecular formula C23H27N9O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol
• PubChem CID: 56953240
• Molecular Formula: C23H27N9O2
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.23
• IUPAC Name: (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol
• SMILES: CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(NC[C@@H](C)O)cn2)n1
• InChI: InChI=1S/C23H27N9O2/c1-13(2)23(4,16-5-6-17(25-10-16)15-8-29-22(24)30-9-15)21-31-20(34-32-21)18-11-28-19(12-26-18)27-7-14(3)33/h5-6,8-14,33H,7H2,1-4H3,(H,27,28)(H2,24,29,30)/t14-,23?/m1/s1
• InChIKey: RQSKDCKKAQXBMG-PDNQZYNLSA-N
• XLogP: 2.72
• TPSA: 161.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol?

The IUPAC name of (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol (CID 56953240) is (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol.

What is the SMILES notation for (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol?

The canonical SMILES for (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(NC[C@@H](C)O)cn2)n1.

What is the InChIKey of (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol?

The InChIKey is RQSKDCKKAQXBMG-PDNQZYNLSA-N. The full InChI is InChI=1S/C23H27N9O2/c1-13(2)23(4,16-5-6-17(25-10-16)15-8-29-22(24)30-9-15)21-31-20(34-32-21)18-11-28-19(12-26-18)27-7-14(3)33/h5-6,8-14,33H,7H2,1-4H3,(H,27,28)(H2,24,29,30)/t14-,23?/m1/s1.

What are the key properties of (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol?

(2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol has a molecular weight of 461.53 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 56953240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).