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

C20H25F3N6O — CID 126890931

IUPACN-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(Cc3noc(C4CCC4)n3)CC2)ncn1
InChIInChI=1S/C20H25F3N6O/c21-20(22,23)16-10-18(25-12-24-16)29(14-4-5-14)15-6-8-28(9-7-15)11-17-26-19(30-27-17)13-2-1-3-13/h10,12-15H,1-9,11H2
InChIKeyONRDAIYUBWYXMT-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.78
Rot. Bonds6

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

N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890931) has the molecular formula C20H25F3N6O and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890931
Molecular FormulaC20H25F3N6O
Molecular Weight422.46 g/mol
Exact Mass422.20
IUPAC NameN-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(Cc3noc(C4CCC4)n3)CC2)ncn1
InChIInChI=1S/C20H25F3N6O/c21-20(22,23)16-10-18(25-12-24-16)29(14-4-5-14)15-6-8-28(9-7-15)11-17-26-19(30-27-17)13-2-1-3-13/h10,12-15H,1-9,11H2
InChIKeyONRDAIYUBWYXMT-UHFFFAOYSA-N
XLogP3.78
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-Propan-2-yl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 72149620
(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]carbamic acid
CID 66661097
3-Methyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 56816450
3-Methyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 56816452
5-Ethyl-3-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 56826945
5-Ethyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 72149628
5-Methyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 72149640
3-methyl-5-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 94571796
3-methyl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 94571797
5-methyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95766097
5-methyl-3-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95766098
5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95766121

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890931) is N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(N(C2CC2)C2CCN(Cc3noc(C4CCC4)n3)CC2)ncn1.
What is the InChIKey of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ONRDAIYUBWYXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O/c21-20(22,23)16-10-18(25-12-24-16)29(14-4-5-14)15-6-8-28(9-7-15)11-17-26-19(30-27-17)13-2-1-3-13/h10,12-15H,1-9,11H2.
What are the key properties of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 422.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).