ethyl 2,6-dimethoxypyrimidine-4-carboxylate

C9H12N2O4 — CID 102390663

IUPACethyl 2,6-dimethoxypyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(OC)nc(OC)n1
InChIInChI=1S/C9H12N2O4/c1-4-15-8(12)6-5-7(13-2)11-9(10-6)14-3/h5H,4H2,1-3H3
InChIKeyLEAJQOMJHNXEEO-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.67
Rot. Bonds4

About ethyl 2,6-dimethoxypyrimidine-4-carboxylate

ethyl 2,6-dimethoxypyrimidine-4-carboxylate (PubChem CID 102390663) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 2,6-dimethoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethoxypyrimidine-4-carboxylate
PubChem CID102390663
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Nameethyl 2,6-dimethoxypyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(OC)nc(OC)n1
InChIInChI=1S/C9H12N2O4/c1-4-15-8(12)6-5-7(13-2)11-9(10-6)14-3/h5H,4H2,1-3H3
InChIKeyLEAJQOMJHNXEEO-UHFFFAOYSA-N
XLogP0.67
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethoxypyrimidine-4-carboxylate?
The IUPAC name of ethyl 2,6-dimethoxypyrimidine-4-carboxylate (CID 102390663) is ethyl 2,6-dimethoxypyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethoxypyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2,6-dimethoxypyrimidine-4-carboxylate is CCOC(=O)c1cc(OC)nc(OC)n1.
What is the InChIKey of ethyl 2,6-dimethoxypyrimidine-4-carboxylate?
The InChIKey is LEAJQOMJHNXEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-4-15-8(12)6-5-7(13-2)11-9(10-6)14-3/h5H,4H2,1-3H3.
What are the key properties of ethyl 2,6-dimethoxypyrimidine-4-carboxylate?
ethyl 2,6-dimethoxypyrimidine-4-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethoxypyrimidine-4-carboxylate is sourced from PubChem (CID 102390663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).