ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate

C8H10N2O5 — CID 67297394

IUPACethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c(=O)c1OC
InChIInChI=1S/C8H10N2O5/c1-3-15-7(12)4-5(14-2)6(11)10-8(13)9-4/h3H2,1-2H3,(H2,9,10,11,13)
InChIKeyMMWCPSHHDFKHMC-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.75
Rot. Bonds3

About ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate

ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 67297394) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID67297394
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Nameethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c(=O)c1OC
InChIInChI=1S/C8H10N2O5/c1-3-15-7(12)4-5(14-2)6(11)10-8(13)9-4/h3H2,1-2H3,(H2,9,10,11,13)
InChIKeyMMWCPSHHDFKHMC-UHFFFAOYSA-N
XLogP-0.75
TPSA101.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 67297394) is ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate is CCOC(=O)c1[nH]c(=O)[nH]c(=O)c1OC.
What is the InChIKey of ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is MMWCPSHHDFKHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-3-15-7(12)4-5(14-2)6(11)10-8(13)9-4/h3H2,1-2H3,(H2,9,10,11,13).
What are the key properties of ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 214.18 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 67297394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).