methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate

C7H8N2O3 — CID 135741857

IUPACmethyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]cn1
InChIInChI=1S/C7H8N2O3/c1-12-7(11)3-5-2-6(10)9-4-8-5/h2,4H,3H2,1H3,(H,8,9,10)
InChIKeyPRTHLWLYSNATDP-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.51
Rot. Bonds2

About methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate

methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate (PubChem CID 135741857) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate
PubChem CID135741857
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]cn1
InChIInChI=1S/C7H8N2O3/c1-12-7(11)3-5-2-6(10)9-4-8-5/h2,4H,3H2,1H3,(H,8,9,10)
InChIKeyPRTHLWLYSNATDP-UHFFFAOYSA-N
XLogP-0.51
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate?
The IUPAC name of methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate (CID 135741857) is methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate?
The canonical SMILES for methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate is COC(=O)Cc1cc(=O)[nH]cn1.
What is the InChIKey of methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate?
The InChIKey is PRTHLWLYSNATDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-12-7(11)3-5-2-6(10)9-4-8-5/h2,4H,3H2,1H3,(H,8,9,10).
What are the key properties of methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate?
methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate has a molecular weight of 168.15 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxo-1H-pyrimidin-4-yl)acetate is sourced from PubChem (CID 135741857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).