5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile

C16H16N4O — CID 133491418

IUPAC5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile
SMILESCC1(c2ccccc2)CN(c2cnc(C#N)cn2)CCO1
InChIInChI=1S/C16H16N4O/c1-16(13-5-3-2-4-6-13)12-20(7-8-21-16)15-11-18-14(9-17)10-19-15/h2-6,10-11H,7-8,12H2,1H3
InChIKeyHBNDBYFCRAMIMX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.10
Rot. Bonds2

About 5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile

5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile (PubChem CID 133491418) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile
PubChem CID133491418
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile
SMILESCC1(c2ccccc2)CN(c2cnc(C#N)cn2)CCO1
InChIInChI=1S/C16H16N4O/c1-16(13-5-3-2-4-6-13)12-20(7-8-21-16)15-11-18-14(9-17)10-19-15/h2-6,10-11H,7-8,12H2,1H3
InChIKeyHBNDBYFCRAMIMX-UHFFFAOYSA-N
XLogP2.10
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile
CID 133379476
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-2-carbonitrile
CID 133379490
4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile
CID 133379557
4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine
CID 133379561
2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
CID 166196558
2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133379583
2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine
CID 133379685
2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
CID 133420103
6-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carboxamide
CID 133379493
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine
CID 133379484
4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine
CID 133379497
5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carbonitrile
CID 63659628

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile (CID 133491418) is 5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile is CC1(c2ccccc2)CN(c2cnc(C#N)cn2)CCO1.
What is the InChIKey of 5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile?
The InChIKey is HBNDBYFCRAMIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-16(13-5-3-2-4-6-13)12-20(7-8-21-16)15-11-18-14(9-17)10-19-15/h2-6,10-11H,7-8,12H2,1H3.
What are the key properties of 5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile?
5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 133491418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).