2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine

C18H20F4N4O — CID 133316055

IUPAC2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC(Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H20F4N4O/c1-25(2)16-11-15(18(20,21)22)23-17(24-16)26-9-7-14(8-10-26)27-13-5-3-12(19)4-6-13/h3-6,11,14H,7-10H2,1-2H3
InChIKeyAZFOATKNJQECHS-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.75
Rot. Bonds4

About 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine

2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133316055) has the molecular formula C18H20F4N4O and a molecular weight of 384.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133316055
Molecular FormulaC18H20F4N4O
Molecular Weight384.38 g/mol
Exact Mass384.16
IUPAC Name2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC(Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H20F4N4O/c1-25(2)16-11-15(18(20,21)22)23-17(24-16)26-9-7-14(8-10-26)27-13-5-3-12(19)4-6-13/h3-6,11,14H,7-10H2,1-2H3
InChIKeyAZFOATKNJQECHS-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-fluoroanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133330758
4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 121350344
7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133316057
4-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 121354771
2-[3-(3,5-dimethoxyanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362299
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274040
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133314312
(3,4-difluorophenyl)-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 78857592
2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133309157
N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133275801
2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274501

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133316055) is 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1cc(C(F)(F)F)nc(N2CCC(Oc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is AZFOATKNJQECHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N4O/c1-25(2)16-11-15(18(20,21)22)23-17(24-16)26-9-7-14(8-10-26)27-13-5-3-12(19)4-6-13/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 384.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133316055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).