ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate

C8H10N2O4 — CID 100997868

IUPACethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate
SMILESCCOC(=O)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-3-14-8(13)10-4-5(2)6(11)9-7(10)12/h4H,3H2,1-2H3,(H,9,11,12)
InChIKeyIWKPWFYDKBVNKB-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.15
Rot. Bonds1

About ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate

ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate (PubChem CID 100997868) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate
PubChem CID100997868
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate
SMILESCCOC(=O)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-3-14-8(13)10-4-5(2)6(11)9-7(10)12/h4H,3H2,1-2H3,(H,9,11,12)
InChIKeyIWKPWFYDKBVNKB-UHFFFAOYSA-N
XLogP-0.15
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
The IUPAC name of ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate (CID 100997868) is ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
The canonical SMILES for ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate is CCOC(=O)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
The InChIKey is IWKPWFYDKBVNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-14-8(13)10-4-5(2)6(11)9-7(10)12/h4H,3H2,1-2H3,(H,9,11,12).
What are the key properties of ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate has a molecular weight of 198.18 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2,4-dioxopyrimidine-1-carboxylate is sourced from PubChem (CID 100997868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).