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

C17H21F3N6O — CID 126890852

IUPACN-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)no1
InChIInChI=1S/C17H21F3N6O/c1-11-23-15(24-27-11)9-25-6-4-13(5-7-25)26(12-2-3-12)16-8-14(17(18,19)20)21-10-22-16/h8,10,12-13H,2-7,9H2,1H3
InChIKeyZTGBTNDDOIIAIR-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.82
Rot. Bonds5

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

N-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890852) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890852
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC NameN-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)no1
InChIInChI=1S/C17H21F3N6O/c1-11-23-15(24-27-11)9-25-6-4-13(5-7-25)26(12-2-3-12)16-8-14(17(18,19)20)21-10-22-16/h8,10,12-13H,2-7,9H2,1H3
InChIKeyZTGBTNDDOIIAIR-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-N-[1-[(5-methyl-1,2,4-oxadiazol-3-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
N,N,6-trimethyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine
CID 53573843
5-Propan-2-yl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 72149620
4-Ethyl-N,N-dimethyl-6-(4-{methyl[(5-methyl-1,2,4-oxadiazol-3-YL)methyl]amino}piperidin-1-YL)pyrimidin-2-amine
CID 72839381
3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 95767777
5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 97007972
(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
2-[2-(5-Methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 71934652
N-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 132182696
3-[2-(4,4-Difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazole
CID 175957544
3-Methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 36786104
3-(2-Piperazin-1-ylpyrimidin-4-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 45588223

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890852) is N-cyclopropyl-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-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)no1.
What is the InChIKey of N-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZTGBTNDDOIIAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-11-23-15(24-27-11)9-25-6-4-13(5-7-25)26(12-2-3-12)16-8-14(17(18,19)20)21-10-22-16/h8,10,12-13H,2-7,9H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)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-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).