methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate

C8H10N2O4 — CID 50888656

IUPACmethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-4-5(3-6(11)14-2)7(12)10-8(13)9-4/h3H2,1-2H3,(H2,9,10,12,13)
InChIKeyAWAGAPBYMVMAPL-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.91
Rot. Bonds2

About methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate

methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate (PubChem CID 50888656) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
PubChem CID50888656
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namemethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-4-5(3-6(11)14-2)7(12)10-8(13)9-4/h3H2,1-2H3,(H2,9,10,12,13)
InChIKeyAWAGAPBYMVMAPL-UHFFFAOYSA-N
XLogP-0.91
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The IUPAC name of methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate (CID 50888656) is methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate is COC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The InChIKey is AWAGAPBYMVMAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-5(3-6(11)14-2)7(12)10-8(13)9-4/h3H2,1-2H3,(H2,9,10,12,13).
What are the key properties of methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate has a molecular weight of 198.18 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 50888656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).