methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate

C8H10N2O4 — CID 15047492

IUPACmethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
SMILESCOC(=O)Cn1c(=O)cc(C)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-5-3-6(11)10(8(13)9-5)4-7(12)14-2/h3H,4H2,1-2H3,(H,9,13)
InChIKeyIWLOVJFUUCEXKE-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.98
Rot. Bonds2

About methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate

methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate (PubChem CID 15047492) 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-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
PubChem CID15047492
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namemethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
SMILESCOC(=O)Cn1c(=O)cc(C)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-5-3-6(11)10(8(13)9-5)4-7(12)14-2/h3H,4H2,1-2H3,(H,9,13)
InChIKeyIWLOVJFUUCEXKE-UHFFFAOYSA-N
XLogP-0.98
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The IUPAC name of methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate (CID 15047492) is methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The canonical SMILES for methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate is COC(=O)Cn1c(=O)cc(C)[nH]c1=O.
What is the InChIKey of methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The InChIKey is IWLOVJFUUCEXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5-3-6(11)10(8(13)9-5)4-7(12)14-2/h3H,4H2,1-2H3,(H,9,13).
What are the key properties of methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate has a molecular weight of 198.18 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate is sourced from PubChem (CID 15047492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).