methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate

C9H12N2O3 — CID 67151667

IUPACmethyl 2-ethyl-6-methoxypyrimidine-4-carboxylate
SMILESCCc1nc(OC)cc(C(=O)OC)n1
InChIInChI=1S/C9H12N2O3/c1-4-7-10-6(9(12)14-3)5-8(11-7)13-2/h5H,4H2,1-3H3
InChIKeyBLAYREZUKRCPFV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.83
Rot. Bonds3

About methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate

methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate (PubChem CID 67151667) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-6-methoxypyrimidine-4-carboxylate
PubChem CID67151667
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 2-ethyl-6-methoxypyrimidine-4-carboxylate
SMILESCCc1nc(OC)cc(C(=O)OC)n1
InChIInChI=1S/C9H12N2O3/c1-4-7-10-6(9(12)14-3)5-8(11-7)13-2/h5H,4H2,1-3H3
InChIKeyBLAYREZUKRCPFV-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate?
The IUPAC name of methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate (CID 67151667) is methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate is CCc1nc(OC)cc(C(=O)OC)n1.
What is the InChIKey of methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate?
The InChIKey is BLAYREZUKRCPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-7-10-6(9(12)14-3)5-8(11-7)13-2/h5H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate?
methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-6-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 67151667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).