ethyl pyrimidine-5-carboxylate

C7H8N2O2 — CID 4223810

IUPACethyl pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1
InChIInChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H3
InChIKeyYCWDQAKDVQNVAR-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.65
Rot. Bonds2

About ethyl pyrimidine-5-carboxylate

ethyl pyrimidine-5-carboxylate (PubChem CID 4223810) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is ethyl pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl pyrimidine-5-carboxylate
PubChem CID4223810
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Nameethyl pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1
InChIInChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H3
InChIKeyYCWDQAKDVQNVAR-UHFFFAOYSA-N
XLogP0.65
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl pyrimidine-5-carboxylate?
The IUPAC name of ethyl pyrimidine-5-carboxylate (CID 4223810) is ethyl pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl pyrimidine-5-carboxylate?
The canonical SMILES for ethyl pyrimidine-5-carboxylate is CCOC(=O)c1cncnc1.
What is the InChIKey of ethyl pyrimidine-5-carboxylate?
The InChIKey is YCWDQAKDVQNVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H3.
What are the key properties of ethyl pyrimidine-5-carboxylate?
ethyl pyrimidine-5-carboxylate has a molecular weight of 152.15 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyrimidine-5-carboxylate is sourced from PubChem (CID 4223810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).