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

C13H24N6O — CID 62013891

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol
SMILESCN(C)c1nc(N)nc(CN(CCO)C2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-18(2)13-16-11(15-12(14)17-13)9-19(7-8-20)10-5-3-4-6-10/h10,20H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyXLEXVVRIPPLCHG-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.26
Rot. Bonds6

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol (PubChem CID 62013891) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol
PubChem CID62013891
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol
SMILESCN(C)c1nc(N)nc(CN(CCO)C2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-18(2)13-16-11(15-12(14)17-13)9-19(7-8-20)10-5-3-4-6-10/h10,20H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyXLEXVVRIPPLCHG-UHFFFAOYSA-N
XLogP0.26
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol with MolForge

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Related Compounds

6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 84586066
(3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 164633618
2-[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 42926008
2,2'-((4-Amino-6-methoxy-1,3,5-triazin-2-yl)methylimino)diethanol
CID 587885
2-[(4-Butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol
CID 58502729
[(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 59474217
2-[4-[4-Amino-6-[butyl(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]butylamino]ethanol
CID 68410772
2-[[4-Amino-1-[4-[butyl(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]butyl]amino]ethanol
CID 68410773
2-[[4-Amino-4-[4-[butyl(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]butyl]amino]ethanol
CID 68410774
[1-[4-(Dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 70672914
[1-(4,6-Dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
CID 70907635
[(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
CID 70907637

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol (CID 62013891) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol is CN(C)c1nc(N)nc(CN(CCO)C2CCCC2)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol?
The InChIKey is XLEXVVRIPPLCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-18(2)13-16-11(15-12(14)17-13)9-19(7-8-20)10-5-3-4-6-10/h10,20H,3-9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-cyclopentylamino]ethanol has a molecular weight of 280.38 g/mol, XLogP of 0.26, 6 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-cyclopentylamino]ethanol is sourced from PubChem (CID 62013891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).