(4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

C25H32N6O3S — CID 90451838

About (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

(4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 90451838) has the molecular formula C25H32N6O3S and a molecular weight of 496.64 g/mol. Its IUPAC name is (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 90451838
• Molecular Formula: C25H32N6O3S
• Molecular Weight: 496.64 g/mol
• Exact Mass: 496.23
• IUPAC Name: (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• SMILES: Cc1ccc(-c2cnc([C@H](C)Nc3nc(C)cc(N4C(=O)OC[C@@H]4[C@@H](C)OC(C)(C)C)n3)s2)cn1
• InChI: InChI=1S/C25H32N6O3S/c1-14-8-9-18(11-26-14)20-12-27-22(35-20)16(3)29-23-28-15(2)10-21(30-23)31-19(13-33-24(31)32)17(4)34-25(5,6)7/h8-12,16-17,19H,13H2,1-7H3,(H,28,29,30)/t16-,17+,19+/m0/s1
• InChIKey: NQWISDRBINEWGM-YQVWRLOYSA-N
• XLogP: 5.31
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.64
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 90451838) is (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is Cc1ccc(-c2cnc([C@H](C)Nc3nc(C)cc(N4C(=O)OC[C@@H]4[C@@H](C)OC(C)(C)C)n3)s2)cn1.

What is the InChIKey of (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is NQWISDRBINEWGM-YQVWRLOYSA-N. The full InChI is InChI=1S/C25H32N6O3S/c1-14-8-9-18(11-26-14)20-12-27-22(35-20)16(3)29-23-28-15(2)10-21(30-23)31-19(13-33-24(31)32)17(4)34-25(5,6)7/h8-12,16-17,19H,13H2,1-7H3,(H,28,29,30)/t16-,17+,19+/m0/s1.

What are the key properties of (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

(4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 496.64 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90451838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).