ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate

C9H12N2O3 — CID 73425264

IUPACethyl 6-methoxy-5-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncnc(OC)c1C
InChIInChI=1S/C9H12N2O3/c1-4-14-9(12)7-6(2)8(13-3)11-5-10-7/h5H,4H2,1-3H3
InChIKeySRAKUHWVCQTDEM-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.97
Rot. Bonds3

About ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate

ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate (PubChem CID 73425264) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-5-methylpyrimidine-4-carboxylate
PubChem CID73425264
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 6-methoxy-5-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncnc(OC)c1C
InChIInChI=1S/C9H12N2O3/c1-4-14-9(12)7-6(2)8(13-3)11-5-10-7/h5H,4H2,1-3H3
InChIKeySRAKUHWVCQTDEM-UHFFFAOYSA-N
XLogP0.97
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate (CID 73425264) is ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate is CCOC(=O)c1ncnc(OC)c1C.
What is the InChIKey of ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate?
The InChIKey is SRAKUHWVCQTDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-14-9(12)7-6(2)8(13-3)11-5-10-7/h5H,4H2,1-3H3.
What are the key properties of ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate?
ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 73425264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).