4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one

C17H29N3O3S — CID 171083546

About 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one

4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one (PubChem CID 171083546) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
• PubChem CID: 171083546
• Molecular Formula: C17H29N3O3S
• Molecular Weight: 355.50 g/mol
• Exact Mass: 355.19
• IUPAC Name: 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
• SMILES: CC(C)OC[C@@H]1O[C@H](n2ccc(N(C(C)C)C(C)C)nc2=O)CS1
• InChI: InChI=1S/C17H29N3O3S/c1-11(2)20(12(3)4)14-7-8-19(17(21)18-14)15-10-24-16(23-15)9-22-13(5)6/h7-8,11-13,15-16H,9-10H2,1-6H3/t15-,16+/m0/s1
• InChIKey: YUNRQOAKMLAFTB-JKSUJKDBSA-N
• XLogP: 2.88
• TPSA: 56.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.50
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?

The IUPAC name of 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one (CID 171083546) is 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one.

What is the SMILES notation for 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?

The canonical SMILES for 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one is CC(C)OC[C@@H]1O[C@H](n2ccc(N(C(C)C)C(C)C)nc2=O)CS1.

What is the InChIKey of 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?

The InChIKey is YUNRQOAKMLAFTB-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-11(2)20(12(3)4)14-7-8-19(17(21)18-14)15-10-24-16(23-15)9-22-13(5)6/h7-8,11-13,15-16H,9-10H2,1-6H3/t15-,16+/m0/s1.

What are the key properties of 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?

4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one has a molecular weight of 355.50 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[di(propan-2-yl)amino]-1-[(2R,5S)-2-(propan-2-yloxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one is sourced from PubChem (CID 171083546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).