ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate

C11H14N4O2 — CID 11579550

IUPACethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate
SMILESCCO/C=N/c1c(C#N)nc(C)nc1OCC
InChIInChI=1S/C11H14N4O2/c1-4-16-7-13-10-9(6-12)14-8(3)15-11(10)17-5-2/h7H,4-5H2,1-3H3/b13-7+
InChIKeyDWCLJOKCTQWVPI-NTUHNPAUSA-N
MW234.26 g/mol
LogP1.75
Rot. Bonds5

About ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate

ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate (PubChem CID 11579550) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate.

Molecular Properties

Compound Nameethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate
PubChem CID11579550
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Nameethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate
SMILESCCO/C=N/c1c(C#N)nc(C)nc1OCC
InChIInChI=1S/C11H14N4O2/c1-4-16-7-13-10-9(6-12)14-8(3)15-11(10)17-5-2/h7H,4-5H2,1-3H3/b13-7+
InChIKeyDWCLJOKCTQWVPI-NTUHNPAUSA-N
XLogP1.75
TPSA80.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile
CID 174754004
ethyl (1E)-N-(5-cyano-3-methyl-1-phenylpyrazolo[3,4-b]pyrazin-6-yl)methanimidate
CID 10494848
6-ethoxy-2-methylpyrimidine-4,5-diamine
CID 82455416
ethyl N-(2-cyanocyclohexen-1-yl)methanimidate
CID 11816197
4-ethoxy-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
CID 22003964
ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate
CID 102480761
ethyl (1E)-N-(5-bromo-3,4-dicyano-1H-pyrrol-2-yl)methanimidate
CID 11119036
ethyl N-[4-cyano-3-(2-methylpentan-2-yl)-1,2-thiazol-5-yl]methanimidate
CID 54317682
ethyl N-(2-butylsulfanyl-5-cyano-6-methylsulfanylpyrimidin-4-yl)methanimidate
CID 141278932
N-(5-cyano-6-ethoxy-4-methyl-2-pyridinyl)acetamide
CID 11622644
ethyl N-(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methanimidate
CID 85450951
4-ethoxy-3,5,6-trifluorobenzene-1,2-dicarbonitrile
CID 19352145

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate?
The IUPAC name of ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate (CID 11579550) is ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate.
What is the SMILES notation for ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate?
The canonical SMILES for ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate is CCO/C=N/c1c(C#N)nc(C)nc1OCC.
What is the InChIKey of ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate?
The InChIKey is DWCLJOKCTQWVPI-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-16-7-13-10-9(6-12)14-8(3)15-11(10)17-5-2/h7H,4-5H2,1-3H3/b13-7+.
What are the key properties of ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate?
ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate has a molecular weight of 234.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate is sourced from PubChem (CID 11579550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).