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

C15H19F3N6O — CID 126889360

IUPACN,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1
InChIInChI=1S/C15H19F3N6O/c1-10-7-12(20-9-19-10)23(2)11-3-5-24(6-4-11)8-13-21-22-14(25-13)15(16,17)18/h7,9,11H,3-6,8H2,1-2H3
InChIKeyZKGZPQOHYFXPHQ-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.29
Rot. Bonds4

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

N,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126889360) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126889360
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC NameN,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1
InChIInChI=1S/C15H19F3N6O/c1-10-7-12(20-9-19-10)23(2)11-3-5-24(6-4-11)8-13-21-22-14(25-13)15(16,17)18/h7,9,11H,3-6,8H2,1-2H3
InChIKeyZKGZPQOHYFXPHQ-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

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56869781
6-(difluoromethyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine
CID 178970858
6-(difluoromethyl)-N-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine
CID 178970878
2-{4-[(5-Cyclopropyl-1,3,4-oxadiazol-2-YL)methyl]piperazin-1-YL}-4-methyl-6-(trifluoromethyl)pyrimidine
CID 91840022
4-(2-Butyl-6-methylpyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
CID 121561921
(3S)-4-(2-butyl-6-methylpyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
CID 124882501
(3R)-4-(2-butyl-6-methylpyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
CID 124882503
6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887681
N4,N4-dimethyl-N6-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidine-4,6-diamine
CID 126888518
N-(1-{[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889762
N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889763
N-{1-[(1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889764

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126889360) is N,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is Cc1cc(N(C)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1.
What is the InChIKey of N,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is ZKGZPQOHYFXPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-10-7-12(20-9-19-10)23(2)11-3-5-24(6-4-11)8-13-21-22-14(25-13)15(16,17)18/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of N,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
N,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-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,6-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126889360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).