2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol

C13H19N7O — CID 107229330

IUPAC2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
SMILESNc1nc(N2CCCC(CCO)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c14-11-16-12(18-13(17-11)20-6-4-15-9-20)19-5-1-2-10(8-19)3-7-21/h4,6,9-10,21H,1-3,5,7-8H2,(H2,14,16,17,18)
InChIKeyXTGJNQNCGHWQBH-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.24
Rot. Bonds4

About 2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol

2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol (PubChem CID 107229330) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
PubChem CID107229330
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
SMILESNc1nc(N2CCCC(CCO)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c14-11-16-12(18-13(17-11)20-6-4-15-9-20)19-5-1-2-10(8-19)3-7-21/h4,6,9-10,21H,1-3,5,7-8H2,(H2,14,16,17,18)
InChIKeyXTGJNQNCGHWQBH-UHFFFAOYSA-N
XLogP0.24
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol with MolForge

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Related Compounds

[1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
CID 62864398
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764330
[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898508
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971053
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80798127
4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80787157
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80823266
4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 80837289
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62869313
4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 103541933
[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927857

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol (CID 107229330) is 2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol is Nc1nc(N2CCCC(CCO)C2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol?
The InChIKey is XTGJNQNCGHWQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c14-11-16-12(18-13(17-11)20-6-4-15-9-20)19-5-1-2-10(8-19)3-7-21/h4,6,9-10,21H,1-3,5,7-8H2,(H2,14,16,17,18).
What are the key properties of 2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol?
2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol has a molecular weight of 289.34 g/mol, XLogP of 0.24, 4 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-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107229330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).