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

C15H19F3N6O — CID 171328170

IUPACN,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1cnc(N(C)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nc1
InChIInChI=1S/C15H19F3N6O/c1-10-7-19-14(20-8-10)23(2)11-3-5-24(6-4-11)9-12-21-22-13(25-12)15(16,17)18/h7-8,11H,3-6,9H2,1-2H3
InChIKeyCEEIUYZGQWPSAR-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.29
Rot. Bonds4

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

N,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 171328170) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is N,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID171328170
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC NameN,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1cnc(N(C)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nc1
InChIInChI=1S/C15H19F3N6O/c1-10-7-19-14(20-8-10)23(2)11-3-5-24(6-4-11)9-12-21-22-13(25-12)15(16,17)18/h7-8,11H,3-6,9H2,1-2H3
InChIKeyCEEIUYZGQWPSAR-UHFFFAOYSA-N
XLogP2.29
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-({Methyl[(5-methyl-1,3,4-oxadiazol-2-YL)methyl]amino}methyl)-N-propylpyrimidin-2-amine
CID 77091760
5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 50972795
N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887260
N4,N4-dimethyl-N6-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidine-4,6-diamine
CID 126888518
N-cyclopropyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126890113
N4-cyclopropyl-N6,N6-dimethyl-N4-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidine-4,6-diamine
CID 126891514
2-[4-(1-{[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}azetidin-3-yl)piperazin-1-yl]pyrimidine
CID 126893904
5-Methyl-4-(5-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}-octahydropyrrolo[3,4-c]pyrrol-2-yl)pyrimidine
CID 126934012
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 128972607
1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 128975047
1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine
CID 128991306
4-[(2S,4S)-4-fluoro-2-[[methyl-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 128991754

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine (CID 171328170) is N,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine is Cc1cnc(N(C)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nc1.
What is the InChIKey of N,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is CEEIUYZGQWPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-10-7-19-14(20-8-10)23(2)11-3-5-24(6-4-11)9-12-21-22-13(25-12)15(16,17)18/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
N,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 356.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 171328170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).