8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

C13H22N6O — CID 63768209

IUPAC8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN(C)c1nc(N)nc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H22N6O/c1-18(2)13-16-11(15-12(14)17-13)7-19-8-3-4-9(19)6-10(20)5-8/h8-10,20H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyNQWDCAVZQJVEJG-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.01
Rot. Bonds3

About 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768209) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768209
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN(C)c1nc(N)nc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H22N6O/c1-18(2)13-16-11(15-12(14)17-13)7-19-8-3-4-9(19)6-10(20)5-8/h8-10,20H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyNQWDCAVZQJVEJG-UHFFFAOYSA-N
XLogP0.01
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63768209) is 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is CN(C)c1nc(N)nc(CN2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NQWDCAVZQJVEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-18(2)13-16-11(15-12(14)17-13)7-19-8-3-4-9(19)6-10(20)5-8/h8-10,20H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 278.36 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).