(4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C20H33N5O3 — CID 90417311

About (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90417311) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
• PubChem CID: 90417311
• Molecular Formula: C20H33N5O3
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.26
• IUPAC Name: (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)OC(C)(C)C)n1)C1CCNCC1
• InChI: InChI=1S/C20H33N5O3/c1-13(15-6-9-21-10-7-15)23-18-22-11-8-17(24-18)25-16(12-27-19(25)26)14(2)28-20(3,4)5/h8,11,13-16,21H,6-7,9-10,12H2,1-5H3,(H,22,23,24)/t13-,14-,16+/m0/s1
• InChIKey: OENIBCSJSDJKBP-OFQRWUPVSA-N
• XLogP: 2.81
• TPSA: 88.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90417311) is (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)OC(C)(C)C)n1)C1CCNCC1.

What is the InChIKey of (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The InChIKey is OENIBCSJSDJKBP-OFQRWUPVSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-13(15-6-9-21-10-7-15)23-18-22-11-8-17(24-18)25-16(12-27-19(25)26)14(2)28-20(3,4)5/h8,11,13-16,21H,6-7,9-10,12H2,1-5H3,(H,22,23,24)/t13-,14-,16+/m0/s1.

What are the key properties of (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

(4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90417311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).