methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate

C11H15BrN2O5 — CID 141498845

IUPACmethyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate
SMILESCOC[C@@H](C)n1c(=O)c(Br)cn(CC(=O)OC)c1=O
InChIInChI=1S/C11H15BrN2O5/c1-7(6-18-2)14-10(16)8(12)4-13(11(14)17)5-9(15)19-3/h4,7H,5-6H2,1-3H3/t7-/m1/s1
InChIKeySCAXAKZXGKPRHP-SSDOTTSWSA-N
MW335.15 g/mol
LogP0.15
Rot. Bonds5

About methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate

methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate (PubChem CID 141498845) has the molecular formula C11H15BrN2O5 and a molecular weight of 335.15 g/mol. Its IUPAC name is methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate
PubChem CID141498845
Molecular FormulaC11H15BrN2O5
Molecular Weight335.15 g/mol
Exact Mass334.02
IUPAC Namemethyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate
SMILESCOC[C@@H](C)n1c(=O)c(Br)cn(CC(=O)OC)c1=O
InChIInChI=1S/C11H15BrN2O5/c1-7(6-18-2)14-10(16)8(12)4-13(11(14)17)5-9(15)19-3/h4,7H,5-6H2,1-3H3/t7-/m1/s1
InChIKeySCAXAKZXGKPRHP-SSDOTTSWSA-N
XLogP0.15
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate?
The IUPAC name of methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate (CID 141498845) is methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate?
The canonical SMILES for methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate is COC[C@@H](C)n1c(=O)c(Br)cn(CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate?
The InChIKey is SCAXAKZXGKPRHP-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15BrN2O5/c1-7(6-18-2)14-10(16)8(12)4-13(11(14)17)5-9(15)19-3/h4,7H,5-6H2,1-3H3/t7-/m1/s1.
What are the key properties of methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate?
methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate has a molecular weight of 335.15 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate is sourced from PubChem (CID 141498845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).