N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine

C15H13F3N6O — CID 71577115

IUPACN-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCc1cc(CN(C)c2ncc(-c3noc(C(F)(F)F)n3)cn2)ccn1
InChIInChI=1S/C15H13F3N6O/c1-9-5-10(3-4-19-9)8-24(2)14-20-6-11(7-21-14)12-22-13(25-23-12)15(16,17)18/h3-7H,8H2,1-2H3
InChIKeyYGHYXNJYKCDPAN-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.89
Rot. Bonds4

About N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine

N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (PubChem CID 71577115) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
PubChem CID71577115
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC NameN-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCc1cc(CN(C)c2ncc(-c3noc(C(F)(F)F)n3)cn2)ccn1
InChIInChI=1S/C15H13F3N6O/c1-9-5-10(3-4-19-9)8-24(2)14-20-6-11(7-21-14)12-22-13(25-23-12)15(16,17)18/h3-7H,8H2,1-2H3
InChIKeyYGHYXNJYKCDPAN-UHFFFAOYSA-N
XLogP2.89
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-{1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidinyl}ethyl)pyridine
CID 16189946
4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(4-(trifluoromethyl)phenyl)piperidine-1-carboxamide
CID 44236320
3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
CID 56944031
5-[5-[1-(5-Pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66825947
US9670193, 10 N-(pyridin-3-ylmethyl)-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-amine
CID 71577043
1-[4-[2-(3,3-Difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 117685497
N-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)benzyl]methanamine
CID 16187375
(4-Fluorobenzyl)methyl[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 16187786
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16188589
1-(5-ethylpyridin-2-yl)-N-methyl-N-({3-[3-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)methanamine
CID 16190039
5-[4-[[2-Fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
CID 56682644
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]acetamide
CID 71813981

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (CID 71577115) is N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is Cc1cc(CN(C)c2ncc(-c3noc(C(F)(F)F)n3)cn2)ccn1.
What is the InChIKey of N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The InChIKey is YGHYXNJYKCDPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c1-9-5-10(3-4-19-9)8-24(2)14-20-6-11(7-21-14)12-22-13(25-23-12)15(16,17)18/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine has a molecular weight of 350.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71577115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).