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

C14H17F3N6O — CID 126889680

IUPACN-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)no1
InChIInChI=1S/C14H17F3N6O/c1-9-20-13(22-24-9)7-23-4-2-10(3-5-23)21-12-6-11(14(15,16)17)18-8-19-12/h6,8,10H,2-5,7H2,1H3,(H,18,19,21)
InChIKeyRJROGZPGKGMOPU-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.26
Rot. Bonds4

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

N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889680) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889680
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC NameN-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)no1
InChIInChI=1S/C14H17F3N6O/c1-9-20-13(22-24-9)7-23-4-2-10(3-5-23)21-12-6-11(14(15,16)17)18-8-19-12/h6,8,10H,2-5,7H2,1H3,(H,18,19,21)
InChIKeyRJROGZPGKGMOPU-UHFFFAOYSA-N
XLogP2.26
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Ethyl-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588217
5-(2-Methylpropyl)-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588219
3-(2-Piperazin-1-ylpyrimidin-4-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 45588450
5-Methyl-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588452
5-Propan-2-yl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 72149620
2-acetamido-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 91631455
4-(5-Ethyl-1,2,4-oxadiazol-3-yl)-2-piperazin-1-ylpyrimidine dihydrochloride
CID 45588216
4-(5-Isobutyl-1,2,4-oxadiazol-3-yl)-2-piperazin-1-ylpyrimidine dihydrochloride
CID 45588218
5-Cyclopropyl-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588221
4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-2-piperazin-1-ylpyrimidine dihydrochloride
CID 45588449
4-(5-Methyl-1,2,4-oxadiazol-3-yl)-2-piperazin-1-ylpyrimidine dihydrochloride
CID 45588451
N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 164639400

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889680) is N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)no1.
What is the InChIKey of N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RJROGZPGKGMOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-9-20-13(22-24-9)7-23-4-2-10(3-5-23)21-12-6-11(14(15,16)17)18-8-19-12/h6,8,10H,2-5,7H2,1H3,(H,18,19,21).
What are the key properties of N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 342.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).