2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile

C13H20N6O2 — CID 3158767

IUPAC2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCC(C)(C)Nc1nc(OCC#N)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N6O2/c1-13(2,3)18-10-15-11(19-5-8-20-9-6-19)17-12(16-10)21-7-4-14/h5-9H2,1-3H3,(H,15,16,17,18)
InChIKeySVKBDCBUZLFTGJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.82
Rot. Bonds4

About 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile

2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile (PubChem CID 3158767) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
PubChem CID3158767
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCC(C)(C)Nc1nc(OCC#N)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N6O2/c1-13(2,3)18-10-15-11(19-5-8-20-9-6-19)17-12(16-10)21-7-4-14/h5-9H2,1-3H3,(H,15,16,17,18)
InChIKeySVKBDCBUZLFTGJ-UHFFFAOYSA-N
XLogP0.82
TPSA96.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The IUPAC name of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile (CID 3158767) is 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile is CC(C)(C)Nc1nc(OCC#N)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The InChIKey is SVKBDCBUZLFTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-13(2,3)18-10-15-11(19-5-8-20-9-6-19)17-12(16-10)21-7-4-14/h5-9H2,1-3H3,(H,15,16,17,18).
What are the key properties of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile has a molecular weight of 292.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile is sourced from PubChem (CID 3158767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).