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

C16H24N6OS — CID 111916361

IUPAC2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol
SMILESCN(C)c1nc(N)nc(CN2CCCC2CC(O)c2cccs2)n1
InChIInChI=1S/C16H24N6OS/c1-21(2)16-19-14(18-15(17)20-16)10-22-7-3-5-11(22)9-12(23)13-6-4-8-24-13/h4,6,8,11-12,23H,3,5,7,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyBJVPCKNJNVUYFW-UHFFFAOYSA-N
MW348.48 g/mol
LogP1.67
Rot. Bonds6

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

2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol (PubChem CID 111916361) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol
PubChem CID111916361
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol
SMILESCN(C)c1nc(N)nc(CN2CCCC2CC(O)c2cccs2)n1
InChIInChI=1S/C16H24N6OS/c1-21(2)16-19-14(18-15(17)20-16)10-22-7-3-5-11(22)9-12(23)13-6-4-8-24-13/h4,6,8,11-12,23H,3,5,7,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyBJVPCKNJNVUYFW-UHFFFAOYSA-N
XLogP1.67
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol (CID 111916361) is 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol is CN(C)c1nc(N)nc(CN2CCCC2CC(O)c2cccs2)n1.
What is the InChIKey of 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The InChIKey is BJVPCKNJNVUYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-21(2)16-19-14(18-15(17)20-16)10-22-7-3-5-11(22)9-12(23)13-6-4-8-24-13/h4,6,8,11-12,23H,3,5,7,9-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol has a molecular weight of 348.48 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 111916361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).