3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol

C11H19F3N6O — CID 111913487

IUPAC3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCN(C)c1nc(N)nc(CN(CCCO)CC(F)(F)F)n1
InChIInChI=1S/C11H19F3N6O/c1-19(2)10-17-8(16-9(15)18-10)6-20(4-3-5-21)7-11(12,13)14/h21H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyYHHKLXHHBVCFPL-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.27
Rot. Bonds7

About 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol

3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 111913487) has the molecular formula C11H19F3N6O and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID111913487
Molecular FormulaC11H19F3N6O
Molecular Weight308.31 g/mol
Exact Mass308.16
IUPAC Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCN(C)c1nc(N)nc(CN(CCCO)CC(F)(F)F)n1
InChIInChI=1S/C11H19F3N6O/c1-19(2)10-17-8(16-9(15)18-10)6-20(4-3-5-21)7-11(12,13)14/h21H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyYHHKLXHHBVCFPL-UHFFFAOYSA-N
XLogP0.27
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 111913487) is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is CN(C)c1nc(N)nc(CN(CCCO)CC(F)(F)F)n1.
What is the InChIKey of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is YHHKLXHHBVCFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N6O/c1-19(2)10-17-8(16-9(15)18-10)6-20(4-3-5-21)7-11(12,13)14/h21H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 308.31 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 111913487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).