ethyl 2-methylpyrimidine-4-carboxylate

C8H10N2O2 — CID 12637816

IUPACethyl 2-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C)n1
InChIInChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-5-9-6(2)10-7/h4-5H,3H2,1-2H3
InChIKeyCOHAOGKPYSIRFC-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.96
Rot. Bonds2

About ethyl 2-methylpyrimidine-4-carboxylate

ethyl 2-methylpyrimidine-4-carboxylate (PubChem CID 12637816) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is ethyl 2-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylpyrimidine-4-carboxylate
PubChem CID12637816
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameethyl 2-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C)n1
InChIInChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-5-9-6(2)10-7/h4-5H,3H2,1-2H3
InChIKeyCOHAOGKPYSIRFC-UHFFFAOYSA-N
XLogP0.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-methylpyrimidine-4-carboxylate (CID 12637816) is ethyl 2-methylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-methylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-methylpyrimidine-4-carboxylate is CCOC(=O)c1ccnc(C)n1.
What is the InChIKey of ethyl 2-methylpyrimidine-4-carboxylate?
The InChIKey is COHAOGKPYSIRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-5-9-6(2)10-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-methylpyrimidine-4-carboxylate?
ethyl 2-methylpyrimidine-4-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 12637816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).