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

C11H20N6OS — CID 2992390

IUPAC2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(C)CNc1nc(SCC(N)=O)nc(N(C)C)n1
InChIInChI=1S/C11H20N6OS/c1-7(2)5-13-9-14-10(17(3)4)16-11(15-9)19-6-8(12)18/h7H,5-6H2,1-4H3,(H2,12,18)(H,13,14,15,16)
InChIKeyYERLCIBJVZNVRR-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.58
Rot. Bonds7

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

2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 2992390) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID2992390
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(C)CNc1nc(SCC(N)=O)nc(N(C)C)n1
InChIInChI=1S/C11H20N6OS/c1-7(2)5-13-9-14-10(17(3)4)16-11(15-9)19-6-8(12)18/h7H,5-6H2,1-4H3,(H2,12,18)(H,13,14,15,16)
InChIKeyYERLCIBJVZNVRR-UHFFFAOYSA-N
XLogP0.58
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
tert-butyl 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 116688375
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 977257
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]acetamide
CID 80932664
1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
CID 107159895
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide
CID 80821043
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80787461
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890568
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine
CID 102909000
2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32802496
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 114235285

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 2992390) is 2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is CC(C)CNc1nc(SCC(N)=O)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is YERLCIBJVZNVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-7(2)5-13-9-14-10(17(3)4)16-11(15-9)19-6-8(12)18/h7H,5-6H2,1-4H3,(H2,12,18)(H,13,14,15,16).
What are the key properties of 2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 284.39 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2992390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).