2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile

C11H16N6OS — CID 2204629

IUPAC2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile
SMILESCN(C)c1nc(SCC#N)nc(N2CCOCC2)n1
InChIInChI=1S/C11H16N6OS/c1-16(2)9-13-10(17-4-6-18-7-5-17)15-11(14-9)19-8-3-12/h4-8H2,1-2H3
InChIKeyNGJYKIDFZSIECM-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.39
Rot. Bonds4

About 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile

2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile (PubChem CID 2204629) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile
PubChem CID2204629
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile
SMILESCN(C)c1nc(SCC#N)nc(N2CCOCC2)n1
InChIInChI=1S/C11H16N6OS/c1-16(2)9-13-10(17-4-6-18-7-5-17)15-11(14-9)19-8-3-12/h4-8H2,1-2H3
InChIKeyNGJYKIDFZSIECM-UHFFFAOYSA-N
XLogP0.39
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile?
The IUPAC name of 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile (CID 2204629) is 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile?
The canonical SMILES for 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile is CN(C)c1nc(SCC#N)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile?
The InChIKey is NGJYKIDFZSIECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-16(2)9-13-10(17-4-6-18-7-5-17)15-11(14-9)19-8-3-12/h4-8H2,1-2H3.
What are the key properties of 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile?
2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile has a molecular weight of 280.36 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetonitrile is sourced from PubChem (CID 2204629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).