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

C19H25F3N6O — CID 126890849

IUPACN-cyclopropyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)c1noc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)n1
InChIInChI=1S/C19H25F3N6O/c1-12(2)18-25-17(29-26-18)10-27-7-5-14(6-8-27)28(13-3-4-13)16-9-15(19(20,21)22)23-11-24-16/h9,11-14H,3-8,10H2,1-2H3
InChIKeyIEZRZZYZZGUTLA-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.64
Rot. Bonds6

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

N-cyclopropyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890849) has the molecular formula C19H25F3N6O and a molecular weight of 410.44 g/mol. Its IUPAC name is N-cyclopropyl-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-cyclopropyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890849
Molecular FormulaC19H25F3N6O
Molecular Weight410.44 g/mol
Exact Mass410.20
IUPAC NameN-cyclopropyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)c1noc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)n1
InChIInChI=1S/C19H25F3N6O/c1-12(2)18-25-17(29-26-18)10-27-7-5-14(6-8-27)28(13-3-4-13)16-9-15(19(20,21)22)23-11-24-16/h9,11-14H,3-8,10H2,1-2H3
InChIKeyIEZRZZYZZGUTLA-UHFFFAOYSA-N
XLogP3.64
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-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
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
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine
CID 75379595
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
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865075
(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-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 36786104
3-Methyl-5-[1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53551536
N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53584351
5-Ethyl-3-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 56826945
5-Propan-2-yl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72149598

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-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-cyclopropyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890849) is N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IEZRZZYZZGUTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6O/c1-12(2)18-25-17(29-26-18)10-27-7-5-14(6-8-27)28(13-3-4-13)16-9-15(19(20,21)22)23-11-24-16/h9,11-14H,3-8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-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 410.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-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 126890849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).