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

C16H21F3N6O — CID 126889677

IUPACN-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)c1noc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C16H21F3N6O/c1-10(2)15-23-14(26-24-15)8-25-5-3-11(4-6-25)22-13-7-12(16(17,18)19)20-9-21-13/h7,9-11H,3-6,8H2,1-2H3,(H,20,21,22)
InChIKeyFZUDWLOKAUGFOI-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.08
Rot. Bonds5

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

N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889677) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889677
Molecular FormulaC16H21F3N6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC NameN-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)c1noc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C16H21F3N6O/c1-10(2)15-23-14(26-24-15)8-25-5-3-11(4-6-25)22-13-7-12(16(17,18)19)20-9-21-13/h7,9-11H,3-6,8H2,1-2H3,(H,20,21,22)
InChIKeyFZUDWLOKAUGFOI-UHFFFAOYSA-N
XLogP3.08
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

3-Cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 36649679
5-Ethyl-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588217
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
N,N,6-trimethyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine
CID 53573843
N-[1-(3-Isopropyl-1,2,4-oxadiazol-5-YL)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870318
5-Propan-2-yl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 72149620
2-(2-oxooxazolidin-3-yl)-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)acetamide
CID 91631395
3-tert-butyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37255919
4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-2-piperazin-1-ylpyrimidine dihydrochloride
CID 45588449
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine
CID 97187990
2-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine
CID 132207536

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889677) is N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is CC(C)c1noc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)n1.
What is the InChIKey of N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FZUDWLOKAUGFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-10(2)15-23-14(26-24-15)8-25-5-3-11(4-6-25)22-13-7-12(16(17,18)19)20-9-21-13/h7,9-11H,3-6,8H2,1-2H3,(H,20,21,22).
What are the key properties of N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 370.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).