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

C13H25N7O — CID 42926008

IUPAC2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(CCO)CC1
InChIInChI=1S/C13H25N7O/c1-10(20-6-4-19(5-7-20)8-9-21)11-15-12(14)17-13(16-11)18(2)3/h10,21H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyPLEUJMZJWZAOEN-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.81
Rot. Bonds5

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

2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol (PubChem CID 42926008) has the molecular formula C13H25N7O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
PubChem CID42926008
Molecular FormulaC13H25N7O
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(CCO)CC1
InChIInChI=1S/C13H25N7O/c1-10(20-6-4-19(5-7-20)8-9-21)11-15-12(14)17-13(16-11)18(2)3/h10,21H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyPLEUJMZJWZAOEN-UHFFFAOYSA-N
XLogP-0.81
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-(4-Morpholino-6-propyl-1,3,5-triazin-2-yl)aminoethanol
CID 130928
2-Amino-4-morpholino-6-propyl-1,3,5-triazine
CID 3080166
1-Butanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-
CID 3080122
Ethanol, 2-(methyl(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-
CID 3080124
4-(Methoxymethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155545099
2-Amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol
CID 597559
3-[4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol
CID 131962944
2-N,2-N-dimethyl-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 34680199
2,2'-((4-Amino-6-methoxy-1,3,5-triazin-2-yl)methylimino)diethanol
CID 587885
2,2'-((4-Amino-6-morpholino-1,3,5-triazin-2-yl)methylimino)diethanol
CID 607000
6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol
CID 20782135
1-[Bis[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]amino]ethanol
CID 21091299

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol (CID 42926008) is 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol is CC(c1nc(N)nc(N(C)C)n1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol?
The InChIKey is PLEUJMZJWZAOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7O/c1-10(20-6-4-19(5-7-20)8-9-21)11-15-12(14)17-13(16-11)18(2)3/h10,21H,4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol?
2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol has a molecular weight of 295.39 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 42926008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).