N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C17H18BrF3N4 — CID 133386927

IUPACN-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CCN(Cc3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C17H18BrF3N4/c18-13-3-1-12(2-4-13)11-25-9-6-14(7-10-25)23-16-22-8-5-15(24-16)17(19,20)21/h1-5,8,14H,6-7,9-11H2,(H,22,23,24)
InChIKeyWIMAFKYBDJAHKD-UHFFFAOYSA-N
MW415.26 g/mol
LogP4.33
Rot. Bonds4

About N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 133386927) has the molecular formula C17H18BrF3N4 and a molecular weight of 415.26 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID133386927
Molecular FormulaC17H18BrF3N4
Molecular Weight415.26 g/mol
Exact Mass414.07
IUPAC NameN-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CCN(Cc3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C17H18BrF3N4/c18-13-3-1-12(2-4-13)11-25-9-6-14(7-10-25)23-16-22-8-5-15(24-16)17(19,20)21/h1-5,8,14H,6-7,9-11H2,(H,22,23,24)
InChIKeyWIMAFKYBDJAHKD-UHFFFAOYSA-N
XLogP4.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172893142
N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 141184288
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133277590
N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133381110
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 18460887
N-(1-cyclopentylpyrrolidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133292243
(2R)-1-phenylsulfanyl-3-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol
CID 7176675
N-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172881633
1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine
CID 119128198
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266
N-(1-oxothian-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 104576530

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 133386927) is N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NC2CCN(Cc3ccc(Br)cc3)CC2)n1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WIMAFKYBDJAHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF3N4/c18-13-3-1-12(2-4-13)11-25-9-6-14(7-10-25)23-16-22-8-5-15(24-16)17(19,20)21/h1-5,8,14H,6-7,9-11H2,(H,22,23,24).
What are the key properties of N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 415.26 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 133386927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).