6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine

C24H26F3N5 — CID 67511856

IUPAC6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
SMILESNc1ccc(N2CCCCC2)cc1-c1cc(NCCc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C24H26F3N5/c25-24(26,27)18-6-4-5-17(13-18)9-10-29-23-15-22(30-16-31-23)20-14-19(7-8-21(20)28)32-11-2-1-3-12-32/h4-8,13-16H,1-3,9-12,28H2,(H,29,30,31)
InChIKeyUKSWNMVRNOFJSC-UHFFFAOYSA-N
MW441.50 g/mol
LogP5.39
Rot. Bonds6

About 6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine

6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 67511856) has the molecular formula C24H26F3N5 and a molecular weight of 441.50 g/mol. Its IUPAC name is 6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
PubChem CID67511856
Molecular FormulaC24H26F3N5
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC Name6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
SMILESNc1ccc(N2CCCCC2)cc1-c1cc(NCCc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C24H26F3N5/c25-24(26,27)18-6-4-5-17(13-18)9-10-29-23-15-22(30-16-31-23)20-14-19(7-8-21(20)28)32-11-2-1-3-12-32/h4-8,13-16H,1-3,9-12,28H2,(H,29,30,31)
InChIKeyUKSWNMVRNOFJSC-UHFFFAOYSA-N
XLogP5.39
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471
3-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide
CID 154462794
4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 23984522
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
CID 166246765
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
3-[[3-[[4-piperidin-1-yl-2-[6-[[3-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid
CID 66588203
N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757909
1-N-(2-morpholin-4-ylethyl)-3-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide
CID 123236597
3-[[4-chloro-2-[6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]phenyl]methyl]benzoic acid
CID 122525133
4-chloro-6-(2-nitro-5-piperidin-1-ylphenyl)pyrimidine;4-(2-nitro-5-piperidin-1-ylphenyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine;4-piperidin-1-yl-2-[6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]aniline;3-[[3-[[4-piperidin-1-yl-2-[6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid
CID 157086119
2-[2-[[3-(piperazin-1-ylmethyl)benzoyl]amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66588097

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine (CID 67511856) is 6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine is Nc1ccc(N2CCCCC2)cc1-c1cc(NCCc2cccc(C(F)(F)F)c2)ncn1.
What is the InChIKey of 6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is UKSWNMVRNOFJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5/c25-24(26,27)18-6-4-5-17(13-18)9-10-29-23-15-22(30-16-31-23)20-14-19(7-8-21(20)28)32-11-2-1-3-12-32/h4-8,13-16H,1-3,9-12,28H2,(H,29,30,31).
What are the key properties of 6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 441.50 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 67511856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).