ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate

C12H16N2O5 — CID 15264074

IUPACethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(OC)nc(CC(C)=O)nc1OC
InChIInChI=1S/C12H16N2O5/c1-5-19-12(16)9-10(17-3)13-8(6-7(2)15)14-11(9)18-4/h5-6H2,1-4H3
InChIKeyIUXRSXYEOYUWMC-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.80
Rot. Bonds6

About ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate

ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate (PubChem CID 15264074) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate
PubChem CID15264074
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Nameethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(OC)nc(CC(C)=O)nc1OC
InChIInChI=1S/C12H16N2O5/c1-5-19-12(16)9-10(17-3)13-8(6-7(2)15)14-11(9)18-4/h5-6H2,1-4H3
InChIKeyIUXRSXYEOYUWMC-UHFFFAOYSA-N
XLogP0.80
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate (CID 15264074) is ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate is CCOC(=O)c1c(OC)nc(CC(C)=O)nc1OC.
What is the InChIKey of ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate?
The InChIKey is IUXRSXYEOYUWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-5-19-12(16)9-10(17-3)13-8(6-7(2)15)14-11(9)18-4/h5-6H2,1-4H3.
What are the key properties of ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate?
ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dimethoxy-2-(2-oxopropyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 15264074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).