ethyl 4,6-dimethylpyrimidine-2-carboxylate

C9H12N2O2 — CID 15186709

IUPACethyl 4,6-dimethylpyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(C)cc(C)n1
InChIInChI=1S/C9H12N2O2/c1-4-13-9(12)8-10-6(2)5-7(3)11-8/h5H,4H2,1-3H3
InChIKeyKHRHWIHFTBCENH-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.27
Rot. Bonds2

About ethyl 4,6-dimethylpyrimidine-2-carboxylate

ethyl 4,6-dimethylpyrimidine-2-carboxylate (PubChem CID 15186709) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethyl 4,6-dimethylpyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dimethylpyrimidine-2-carboxylate
PubChem CID15186709
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethyl 4,6-dimethylpyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(C)cc(C)n1
InChIInChI=1S/C9H12N2O2/c1-4-13-9(12)8-10-6(2)5-7(3)11-8/h5H,4H2,1-3H3
InChIKeyKHRHWIHFTBCENH-UHFFFAOYSA-N
XLogP1.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dimethylpyrimidine-2-carboxylate?
The IUPAC name of ethyl 4,6-dimethylpyrimidine-2-carboxylate (CID 15186709) is ethyl 4,6-dimethylpyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4,6-dimethylpyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4,6-dimethylpyrimidine-2-carboxylate is CCOC(=O)c1nc(C)cc(C)n1.
What is the InChIKey of ethyl 4,6-dimethylpyrimidine-2-carboxylate?
The InChIKey is KHRHWIHFTBCENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-4-13-9(12)8-10-6(2)5-7(3)11-8/h5H,4H2,1-3H3.
What are the key properties of ethyl 4,6-dimethylpyrimidine-2-carboxylate?
ethyl 4,6-dimethylpyrimidine-2-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dimethylpyrimidine-2-carboxylate is sourced from PubChem (CID 15186709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).