5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine

C23H22F4N4 — CID 89446770

IUPAC5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H22F4N4/c24-19-7-3-17(4-8-19)20-21(28)29-14-30-22(20)31-11-9-16(10-12-31)13-15-1-5-18(6-2-15)23(25,26)27/h1-8,14,16H,9-13H2,(H2,28,29,30)
InChIKeyHHECCAZZKIBWLT-UHFFFAOYSA-N
MW430.45 g/mol
LogP5.34
Rot. Bonds4

About 5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine

5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 89446770) has the molecular formula C23H22F4N4 and a molecular weight of 430.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID89446770
Molecular FormulaC23H22F4N4
Molecular Weight430.45 g/mol
Exact Mass430.18
IUPAC Name5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H22F4N4/c24-19-7-3-17(4-8-19)20-21(28)29-14-30-22(20)31-11-9-16(10-12-31)13-15-1-5-18(6-2-15)23(25,26)27/h1-8,14,16H,9-13H2,(H2,28,29,30)
InChIKeyHHECCAZZKIBWLT-UHFFFAOYSA-N
XLogP5.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(2-Carbamimidoylpyrimidin-5-yl)phenyl]pyrimidine-2-carboximidamide
CID 24752324
5-[4-(4-Carbamimidoylphenyl)phenyl]pyrimidine-2-carboximidamide
CID 24752326
5-fluoro-N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
CID 49857096
(3R,4R)-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 16202917
(3R,4R)-1-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 16202919
(3R,4R)-1-(6-phenylpyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 16203151
(3R,4R)-1-[6-(piperidin-1-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 16203153
6-((3S,4S)-3-Amino-4-(2,4,5-trifluorophenyl)piperidin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 23647113
5-[(4-Phenylphenyl)methyl]pyrimidine-2,4-diamine
CID 14999849
N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 15603270

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine (CID 89446770) is 5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine is Nc1ncnc(N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is HHECCAZZKIBWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4/c24-19-7-3-17(4-8-19)20-21(28)29-14-30-22(20)31-11-9-16(10-12-31)13-15-1-5-18(6-2-15)23(25,26)27/h1-8,14,16H,9-13H2,(H2,28,29,30).
What are the key properties of 5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine?
5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 430.45 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 89446770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).