2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide

C11H20N6OS — CID 977257

IUPAC2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCNc1nc(NC(C)(C)C)nc(SCC(N)=O)n1
InChIInChI=1S/C11H20N6OS/c1-5-13-8-14-9(17-11(2,3)4)16-10(15-8)19-6-7(12)18/h5-6H2,1-4H3,(H2,12,18)(H2,13,14,15,16,17)
InChIKeyYURKEKKHJDHAMG-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.09
Rot. Bonds6

About 2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide

2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 977257) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID977257
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCNc1nc(NC(C)(C)C)nc(SCC(N)=O)n1
InChIInChI=1S/C11H20N6OS/c1-5-13-8-14-9(17-11(2,3)4)16-10(15-8)19-6-7(12)18/h5-6H2,1-4H3,(H2,12,18)(H2,13,14,15,16,17)
InChIKeyYURKEKKHJDHAMG-UHFFFAOYSA-N
XLogP1.09
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32802515
ethyl 2-[[4-(cyanoamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 655506
4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 71752366
2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 2992390
N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine
CID 118921040
tert-butyl 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 116688375
methyl 2-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886619
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide
CID 80794641
[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 110178349
bis(2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine);bis((2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate)
CID 173357760
4-N-(2-aminoethyl)-2-N-[2-[[4-(2-aminoethylamino)-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
CID 126546684
2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine;5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid
CID 87379801

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 977257) is 2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is CCNc1nc(NC(C)(C)C)nc(SCC(N)=O)n1.
What is the InChIKey of 2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is YURKEKKHJDHAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-5-13-8-14-9(17-11(2,3)4)16-10(15-8)19-6-7(12)18/h5-6H2,1-4H3,(H2,12,18)(H2,13,14,15,16,17).
What are the key properties of 2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 284.39 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 977257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).