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

C17H21F3N6O — CID 126890543

IUPACN-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1
InChIInChI=1S/C17H21F3N6O/c1-11-8-14(22-10-21-11)26(12-2-3-12)13-4-6-25(7-5-13)9-15-23-24-16(27-15)17(18,19)20/h8,10,12-13H,2-7,9H2,1H3
InChIKeyUUSCRQSHHZFUBH-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.82
Rot. Bonds5

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

N-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126890543) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126890543
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC NameN-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1
InChIInChI=1S/C17H21F3N6O/c1-11-8-14(22-10-21-11)26(12-2-3-12)13-4-6-25(7-5-13)9-15-23-24-16(27-15)17(18,19)20/h8,10,12-13H,2-7,9H2,1H3
InChIKeyUUSCRQSHHZFUBH-UHFFFAOYSA-N
XLogP2.82
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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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
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,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-{1-[(1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889764
N-cyclopropyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126890113
3-{4-[Cyclopropyl(6-methylpyrimidin-4-yl)amino]piperidin-1-yl}-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 126890667

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126890543) is N-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is Cc1cc(N(C2CC2)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is UUSCRQSHHZFUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-11-8-14(22-10-21-11)26(12-2-3-12)13-4-6-25(7-5-13)9-15-23-24-16(27-15)17(18,19)20/h8,10,12-13H,2-7,9H2,1H3.
What are the key properties of N-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 382.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126890543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).