(3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one

C26H28N8O3 — CID 177263059

About (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one

(3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 177263059) has the molecular formula C26H28N8O3 and a molecular weight of 500.56 g/mol. Its IUPAC name is (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
• PubChem CID: 177263059
• Molecular Formula: C26H28N8O3
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.23
• IUPAC Name: (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
• SMILES: CN(C)C[C@@H](Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1)c1ccccn1
• InChI: InChI=1S/C26H28N8O3/c1-33(2)16-22(17-7-4-5-12-27-17)31-25-28-13-10-20(30-25)18-8-6-9-19(29-18)21-15-23(37-32-21)26(36)11-14-34(3)24(26)35/h4-10,12-13,15,22,36H,11,14,16H2,1-3H3,(H,28,30,31)/t22-,26-/m1/s1
• InChIKey: NQAQFQNSNCXWMQ-ATIYNZHBSA-N
• XLogP: 2.35
• TPSA: 133.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?

The IUPAC name of (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 177263059) is (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

What is the SMILES notation for (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?

The canonical SMILES for (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CN(C)C[C@@H](Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1)c1ccccn1.

What is the InChIKey of (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?

The InChIKey is NQAQFQNSNCXWMQ-ATIYNZHBSA-N. The full InChI is InChI=1S/C26H28N8O3/c1-33(2)16-22(17-7-4-5-12-27-17)31-25-28-13-10-20(30-25)18-8-6-9-19(29-18)21-15-23(37-32-21)26(36)11-14-34(3)24(26)35/h4-10,12-13,15,22,36H,11,14,16H2,1-3H3,(H,28,30,31)/t22-,26-/m1/s1.

What are the key properties of (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?

(3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 500.56 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[3-[6-[2-[[(1R)-2-(dimethylamino)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 177263059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).