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

C11H18N6O2S — CID 845210

IUPAC2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCN(C)c1nc(SCC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C11H18N6O2S/c1-16(2)9-13-10(17-3-5-19-6-4-17)15-11(14-9)20-7-8(12)18/h3-7H2,1-2H3,(H2,12,18)
InChIKeyNOADGQRZFYGIAK-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.65
Rot. Bonds5

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

2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 845210) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID845210
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCN(C)c1nc(SCC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C11H18N6O2S/c1-16(2)9-13-10(17-3-5-19-6-4-17)15-11(14-9)20-7-8(12)18/h3-7H2,1-2H3,(H2,12,18)
InChIKeyNOADGQRZFYGIAK-UHFFFAOYSA-N
XLogP-0.65
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 1251508
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CID 1260688
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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]acetamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 845210) is 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is CN(C)c1nc(SCC(N)=O)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is NOADGQRZFYGIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-16(2)9-13-10(17-3-5-19-6-4-17)15-11(14-9)20-7-8(12)18/h3-7H2,1-2H3,(H2,12,18).
What are the key properties of 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 298.37 g/mol, XLogP of -0.65, 5 rotatable bonds, 1 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]acetamide is sourced from PubChem (CID 845210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).