(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate

C14H13N2O5- — CID 6920360

IUPAC(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate
SMILESCOc1cc(OC)nc(O[C@H](C(=O)[O-])c2ccccc2)n1
InChIInChI=1S/C14H14N2O5/c1-19-10-8-11(20-2)16-14(15-10)21-12(13(17)18)9-6-4-3-5-7-9/h3-8,12H,1-2H3,(H,17,18)/p-1/t12-/m0/s1
InChIKeyIDLITGCUZZUBBZ-LBPRGKRZSA-M
MW289.27 g/mol
LogP0.36
Rot. Bonds6

About (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate

(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate (PubChem CID 6920360) has the molecular formula C14H13N2O5- and a molecular weight of 289.27 g/mol. Its IUPAC name is (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate.

Molecular Properties

Compound Name(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate
PubChem CID6920360
Molecular FormulaC14H13N2O5-
Molecular Weight289.27 g/mol
Exact Mass289.08
IUPAC Name(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate
SMILESCOc1cc(OC)nc(O[C@H](C(=O)[O-])c2ccccc2)n1
InChIInChI=1S/C14H14N2O5/c1-19-10-8-11(20-2)16-14(15-10)21-12(13(17)18)9-6-4-3-5-7-9/h3-8,12H,1-2H3,(H,17,18)/p-1/t12-/m0/s1
InChIKeyIDLITGCUZZUBBZ-LBPRGKRZSA-M
XLogP0.36
TPSA93.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate?
The IUPAC name of (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate (CID 6920360) is (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate.
What is the SMILES notation for (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate?
The canonical SMILES for (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate is COc1cc(OC)nc(O[C@H](C(=O)[O-])c2ccccc2)n1.
What is the InChIKey of (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate?
The InChIKey is IDLITGCUZZUBBZ-LBPRGKRZSA-M. The full InChI is InChI=1S/C14H14N2O5/c1-19-10-8-11(20-2)16-14(15-10)21-12(13(17)18)9-6-4-3-5-7-9/h3-8,12H,1-2H3,(H,17,18)/p-1/t12-/m0/s1.
What are the key properties of (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate?
(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate has a molecular weight of 289.27 g/mol, XLogP of 0.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate is sourced from PubChem (CID 6920360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).