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

C8H10N2O3 — CID 131195581

IUPACmethyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate
SMILESCOC(=O)Cc1cc(C)[nH]c(=O)n1
InChIInChI=1S/C8H10N2O3/c1-5-3-6(4-7(11)13-2)10-8(12)9-5/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyWXAOJQQMOZZWSO-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.21
Rot. Bonds2

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

methyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate (PubChem CID 131195581) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate
PubChem CID131195581
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate
SMILESCOC(=O)Cc1cc(C)[nH]c(=O)n1
InChIInChI=1S/C8H10N2O3/c1-5-3-6(4-7(11)13-2)10-8(12)9-5/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyWXAOJQQMOZZWSO-UHFFFAOYSA-N
XLogP-0.21
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate?
The IUPAC name of methyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate (CID 131195581) is methyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate?
The canonical SMILES for methyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate is COC(=O)Cc1cc(C)[nH]c(=O)n1.
What is the InChIKey of methyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate?
The InChIKey is WXAOJQQMOZZWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-3-6(4-7(11)13-2)10-8(12)9-5/h3H,4H2,1-2H3,(H,9,10,12).
What are the key properties of methyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate?
methyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate has a molecular weight of 182.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetate is sourced from PubChem (CID 131195581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).