methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate

C13H16N4O5S — CID 135780845

About methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate

methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate (PubChem CID 135780845) has the molecular formula C13H16N4O5S and a molecular weight of 340.36 g/mol. Its IUPAC name is methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate
• PubChem CID: 135780845
• Molecular Formula: C13H16N4O5S
• Molecular Weight: 340.36 g/mol
• Exact Mass: 340.08
• IUPAC Name: methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate
• SMILES: COC(=O)Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCNC2=O)n1
• InChI: InChI=1S/C13H16N4O5S/c1-7(11(20)17-4-3-14-13(17)21)23-12-15-8(5-9(18)16-12)6-10(19)22-2/h5,7H,3-4,6H2,1-2H3,(H,14,21)(H,15,16,18)/t7-/m1/s1
• InChIKey: YORDGDAAGUBUBI-SSDOTTSWSA-N
• XLogP: -0.48
• TPSA: 121.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.36
LogP ≤ 5	-0.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate?

The IUPAC name of methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate (CID 135780845) is methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate.

What is the SMILES notation for methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate?

The canonical SMILES for methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate is COC(=O)Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCNC2=O)n1.

What is the InChIKey of methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate?

The InChIKey is YORDGDAAGUBUBI-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H16N4O5S/c1-7(11(20)17-4-3-14-13(17)21)23-12-15-8(5-9(18)16-12)6-10(19)22-2/h5,7H,3-4,6H2,1-2H3,(H,14,21)(H,15,16,18)/t7-/m1/s1.

What are the key properties of methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate?

methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate has a molecular weight of 340.36 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate is sourced from PubChem (CID 135780845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).