N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine

C18H22F3N5 — CID 154575829

IUPACN,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H22F3N5/c1-24(2)17-22-7-6-16(23-17)26-10-8-25(9-11-26)13-14-4-3-5-15(12-14)18(19,20)21/h3-7,12H,8-11,13H2,1-2H3
InChIKeyNJEMEZZHRMWEEA-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.88
Rot. Bonds4

About N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine

N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 154575829) has the molecular formula C18H22F3N5 and a molecular weight of 365.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID154575829
Molecular FormulaC18H22F3N5
Molecular Weight365.40 g/mol
Exact Mass365.18
IUPAC NameN,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H22F3N5/c1-24(2)17-22-7-6-16(23-17)26-10-8-25(9-11-26)13-14-4-3-5-15(12-14)18(19,20)21/h3-7,12H,8-11,13H2,1-2H3
InChIKeyNJEMEZZHRMWEEA-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol
CID 75470946
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166284237
5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047593
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975
4-methoxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998710
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
CID 112896283
1-(3-nitro-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 9339294
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
CID 111442513
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601
1-(2-chloroethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 63387970

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine (CID 154575829) is N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine is CN(C)c1nccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is NJEMEZZHRMWEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5/c1-24(2)17-22-7-6-16(23-17)26-10-8-25(9-11-26)13-14-4-3-5-15(12-14)18(19,20)21/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 365.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 154575829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).