2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol

C12H24N6O — CID 62015211

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H24N6O/c1-4-5-6-18(7-8-19)9-10-14-11(13)16-12(15-10)17(2)3/h19H,4-9H2,1-3H3,(H2,13,14,15,16)
InChIKeyXOVCTRQZKVUIDW-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.11
Rot. Bonds8

About 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol (PubChem CID 62015211) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol
PubChem CID62015211
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H24N6O/c1-4-5-6-18(7-8-19)9-10-14-11(13)16-12(15-10)17(2)3/h19H,4-9H2,1-3H3,(H2,13,14,15,16)
InChIKeyXOVCTRQZKVUIDW-UHFFFAOYSA-N
XLogP0.11
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol (CID 62015211) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol is CCCCN(CCO)Cc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol?
The InChIKey is XOVCTRQZKVUIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-4-5-6-18(7-8-19)9-10-14-11(13)16-12(15-10)17(2)3/h19H,4-9H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol has a molecular weight of 268.36 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol is sourced from PubChem (CID 62015211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).