2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine

C28H25F3N4O — CID 4307520

IUPAC2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2cnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C28H25F3N4O/c29-28(30,31)36-25-13-11-21(12-14-25)24-19-32-27(33-20-24)35-17-15-34(16-18-35)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19-20,26H,15-18H2
InChIKeyYWPLOQBPYLFMCJ-UHFFFAOYSA-N
MW490.53 g/mol
LogP5.95
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine

2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 4307520) has the molecular formula C28H25F3N4O and a molecular weight of 490.53 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID4307520
Molecular FormulaC28H25F3N4O
Molecular Weight490.53 g/mol
Exact Mass490.20
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2cnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C28H25F3N4O/c29-28(30,31)36-25-13-11-21(12-14-25)24-19-32-27(33-20-24)35-17-15-34(16-18-35)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19-20,26H,15-18H2
InChIKeyYWPLOQBPYLFMCJ-UHFFFAOYSA-N
XLogP5.95
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 3537747
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide
CID 4576253
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2822264
5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 58006557
1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287676
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
2-(4-benzhydrylpiperazin-1-yl)-9-methylpurine
CID 3052976
2-(4-benzhydrylpiperazin-1-yl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 2764816
1-[(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286779
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine (CID 4307520) is 2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine is FC(F)(F)Oc1ccc(-c2cnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2)cc1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is YWPLOQBPYLFMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O/c29-28(30,31)36-25-13-11-21(12-14-25)24-19-32-27(33-20-24)35-17-15-34(16-18-35)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19-20,26H,15-18H2.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine?
2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 490.53 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 4307520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).