N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C21H17F4N5O2 — CID 133341737

IUPACN-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(C(Nc2cc(C(F)(F)F)nc3ncnn23)c2cc(F)ccc2OC)c1
InChIInChI=1S/C21H17F4N5O2/c1-31-14-5-3-4-12(8-14)19(15-9-13(22)6-7-16(15)32-2)29-18-10-17(21(23,24)25)28-20-26-11-27-30(18)20/h3-11,19,29H,1-2H3
InChIKeyWELYVHRDGMATIR-UHFFFAOYSA-N
MW447.39 g/mol
LogP4.50
Rot. Bonds6

About N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133341737) has the molecular formula C21H17F4N5O2 and a molecular weight of 447.39 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133341737
Molecular FormulaC21H17F4N5O2
Molecular Weight447.39 g/mol
Exact Mass447.13
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(C(Nc2cc(C(F)(F)F)nc3ncnn23)c2cc(F)ccc2OC)c1
InChIInChI=1S/C21H17F4N5O2/c1-31-14-5-3-4-12(8-14)19(15-9-13(22)6-7-16(15)32-2)29-18-10-17(21(23,24)25)28-20-26-11-27-30(18)20/h3-11,19,29H,1-2H3
InChIKeyWELYVHRDGMATIR-UHFFFAOYSA-N
XLogP4.50
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine
CID 133341736
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133341748
7-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133299614
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133275348
(2S,3S)-3-methyl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pentanoic acid
CID 122050380
N-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133311880
N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine
CID 164631617
N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439544
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18109327
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119809465
N-[2-(2-methoxypyrimidin-5-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154765285
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133341737) is N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1cccc(C(Nc2cc(C(F)(F)F)nc3ncnn23)c2cc(F)ccc2OC)c1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WELYVHRDGMATIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5O2/c1-31-14-5-3-4-12(8-14)19(15-9-13(22)6-7-16(15)32-2)29-18-10-17(21(23,24)25)28-20-26-11-27-30(18)20/h3-11,19,29H,1-2H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 447.39 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133341737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).