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

C12H19F3N6O — CID 75494805

IUPAC1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
SMILESCN(C)c1nc(N)nc(CN2CCCC2C(O)C(F)(F)F)n1
InChIInChI=1S/C12H19F3N6O/c1-20(2)11-18-8(17-10(16)19-11)6-21-5-3-4-7(21)9(22)12(13,14)15/h7,9,22H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyJULNLXXPQISSIH-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.41
Rot. Bonds4

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

1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol (PubChem CID 75494805) has the molecular formula C12H19F3N6O and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
PubChem CID75494805
Molecular FormulaC12H19F3N6O
Molecular Weight320.32 g/mol
Exact Mass320.16
IUPAC Name1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
SMILESCN(C)c1nc(N)nc(CN2CCCC2C(O)C(F)(F)F)n1
InChIInChI=1S/C12H19F3N6O/c1-20(2)11-18-8(17-10(16)19-11)6-21-5-3-4-7(21)9(22)12(13,14)15/h7,9,22H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyJULNLXXPQISSIH-UHFFFAOYSA-N
XLogP0.41
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol (CID 75494805) is 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol is CN(C)c1nc(N)nc(CN2CCCC2C(O)C(F)(F)F)n1.
What is the InChIKey of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The InChIKey is JULNLXXPQISSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N6O/c1-20(2)11-18-8(17-10(16)19-11)6-21-5-3-4-7(21)9(22)12(13,14)15/h7,9,22H,3-6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol?
1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol has a molecular weight of 320.32 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 75494805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).