methyl 2-pyrimidin-5-ylacetate

C7H8N2O2 — CID 75488077

IUPACmethyl 2-pyrimidin-5-ylacetate
SMILESCOC(=O)Cc1cncnc1
InChIInChI=1S/C7H8N2O2/c1-11-7(10)2-6-3-8-5-9-4-6/h3-5H,2H2,1H3
InChIKeyKNCQCFXYHUPWFN-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.19
Rot. Bonds2

About methyl 2-pyrimidin-5-ylacetate

methyl 2-pyrimidin-5-ylacetate (PubChem CID 75488077) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is methyl 2-pyrimidin-5-ylacetate.

Molecular Properties

Compound Namemethyl 2-pyrimidin-5-ylacetate
PubChem CID75488077
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Namemethyl 2-pyrimidin-5-ylacetate
SMILESCOC(=O)Cc1cncnc1
InChIInChI=1S/C7H8N2O2/c1-11-7(10)2-6-3-8-5-9-4-6/h3-5H,2H2,1H3
InChIKeyKNCQCFXYHUPWFN-UHFFFAOYSA-N
XLogP0.19
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrimidin-5-ylacetate?
The IUPAC name of methyl 2-pyrimidin-5-ylacetate (CID 75488077) is methyl 2-pyrimidin-5-ylacetate.
What is the SMILES notation for methyl 2-pyrimidin-5-ylacetate?
The canonical SMILES for methyl 2-pyrimidin-5-ylacetate is COC(=O)Cc1cncnc1.
What is the InChIKey of methyl 2-pyrimidin-5-ylacetate?
The InChIKey is KNCQCFXYHUPWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-11-7(10)2-6-3-8-5-9-4-6/h3-5H,2H2,1H3.
What are the key properties of methyl 2-pyrimidin-5-ylacetate?
methyl 2-pyrimidin-5-ylacetate has a molecular weight of 152.15 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrimidin-5-ylacetate is sourced from PubChem (CID 75488077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).