N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine

C15H17F3N6O — CID 171995728

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine
SMILESCN(Cc1nnc(C2CC2)o1)C1CN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C15H17F3N6O/c1-23(7-13-21-22-14(25-13)9-2-3-9)10-5-24(6-10)12-4-11(15(16,17)18)19-8-20-12/h4,8-10H,2-3,5-7H2,1H3
InChIKeyFKLKXQUDXQYMTQ-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.08
Rot. Bonds5

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine (PubChem CID 171995728) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine
PubChem CID171995728
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine
SMILESCN(Cc1nnc(C2CC2)o1)C1CN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C15H17F3N6O/c1-23(7-13-21-22-14(25-13)9-2-3-9)10-5-24(6-10)12-4-11(15(16,17)18)19-8-20-12/h4,8-10H,2-3,5-7H2,1H3
InChIKeyFKLKXQUDXQYMTQ-UHFFFAOYSA-N
XLogP2.08
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-Cyclopropyl-N-[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]-N-methylpyrimidin-4-amine
CID 72857867
2-{4-[(5-Cyclopropyl-1,3,4-oxadiazol-2-YL)methyl]piperazin-1-YL}-4-methyl-6-(trifluoromethyl)pyrimidine
CID 91840022
6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887681
N,6-dimethyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126889360
N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889763
N-cyclopropyl-6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126890543
N-cyclopropyl-N-(1-{[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890933
N-cyclopropyl-N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890934
N-cyclopropyl-N-{1-[(1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890935
4-Methyl-6-(5-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}-octahydropyrrolo[3,4-c]pyrrol-2-yl)pyrimidine
CID 126931739
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133497983
2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133497999

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine (CID 171995728) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine is CN(Cc1nnc(C2CC2)o1)C1CN(c2cc(C(F)(F)F)ncn2)C1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine?
The InChIKey is FKLKXQUDXQYMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-23(7-13-21-22-14(25-13)9-2-3-9)10-5-24(6-10)12-4-11(15(16,17)18)19-8-20-12/h4,8-10H,2-3,5-7H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine has a molecular weight of 354.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine is sourced from PubChem (CID 171995728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).