N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H15F3N8 — CID 133460334

IUPACN-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)c1ncc(CN(C)c2cc(C(F)(F)F)nc3ncnn23)cn1
InChIInChI=1S/C14H15F3N8/c1-23(2)12-18-5-9(6-19-12)7-24(3)11-4-10(14(15,16)17)22-13-20-8-21-25(11)13/h4-6,8H,7H2,1-3H3
InChIKeyXWMDJMDGFGVTOU-UHFFFAOYSA-N
MW352.32 g/mol
LogP1.64
Rot. Bonds4

About N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133460334) has the molecular formula C14H15F3N8 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133460334
Molecular FormulaC14H15F3N8
Molecular Weight352.32 g/mol
Exact Mass352.14
IUPAC NameN-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)c1ncc(CN(C)c2cc(C(F)(F)F)nc3ncnn23)cn1
InChIInChI=1S/C14H15F3N8/c1-23(2)12-18-5-9(6-19-12)7-24(3)11-4-10(14(15,16)17)22-13-20-8-21-25(11)13/h4-6,8H,7H2,1-3H3
InChIKeyXWMDJMDGFGVTOU-UHFFFAOYSA-N
XLogP1.64
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439168
3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile
CID 133370491
N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133398525
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95580694
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78898466
N-[(4-chloro-3-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133410799
N-cyclopentyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1429528
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918526
N-[[4-(difluoromethoxy)phenyl]methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191359
N-[2-(2-methoxypyrimidin-5-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154765285
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356577
N-[(2-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191340

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133460334) is N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CN(C)c1ncc(CN(C)c2cc(C(F)(F)F)nc3ncnn23)cn1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XWMDJMDGFGVTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N8/c1-23(2)12-18-5-9(6-19-12)7-24(3)11-4-10(14(15,16)17)22-13-20-8-21-25(11)13/h4-6,8H,7H2,1-3H3.
What are the key properties of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 352.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133460334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).