2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile

C11H14N4O — CID 116862851

IUPAC2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile
SMILESCCc1nc(C#N)cc(N2CCOCC2)n1
InChIInChI=1S/C11H14N4O/c1-2-10-13-9(8-12)7-11(14-10)15-3-5-16-6-4-15/h7H,2-6H2,1H3
InChIKeyNKFKPONSWDFRKV-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.75
Rot. Bonds2

About 2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile

2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile (PubChem CID 116862851) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile
PubChem CID116862851
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile
SMILESCCc1nc(C#N)cc(N2CCOCC2)n1
InChIInChI=1S/C11H14N4O/c1-2-10-13-9(8-12)7-11(14-10)15-3-5-16-6-4-15/h7H,2-6H2,1H3
InChIKeyNKFKPONSWDFRKV-UHFFFAOYSA-N
XLogP0.75
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile?
The IUPAC name of 2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile (CID 116862851) is 2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile is CCc1nc(C#N)cc(N2CCOCC2)n1.
What is the InChIKey of 2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile?
The InChIKey is NKFKPONSWDFRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-10-13-9(8-12)7-11(14-10)15-3-5-16-6-4-15/h7H,2-6H2,1H3.
What are the key properties of 2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile?
2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 116862851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).