2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol

C11H16N6OS — CID 106436433

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol
SMILESCN(C)c1nc(N)nc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C11H16N6OS/c1-17(2)11-15-9(12)14-10(16-11)13-5-8(18)7-3-4-19-6-7/h3-4,6,8,18H,5H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyPZIZAYNFXPERAL-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.73
Rot. Bonds5

About 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 106436433) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol
PubChem CID106436433
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol
SMILESCN(C)c1nc(N)nc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C11H16N6OS/c1-17(2)11-15-9(12)14-10(16-11)13-5-8(18)7-3-4-19-6-7/h3-4,6,8,18H,5H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyPZIZAYNFXPERAL-UHFFFAOYSA-N
XLogP0.73
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol (CID 106436433) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol is CN(C)c1nc(N)nc(NCC(O)c2ccsc2)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is PZIZAYNFXPERAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-17(2)11-15-9(12)14-10(16-11)13-5-8(18)7-3-4-19-6-7/h3-4,6,8,18H,5H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 280.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106436433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).