2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine

C24H31F3N6 — CID 134151245

IUPAC2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine
SMILESFC(F)(F)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1
InChIInChI=1S/C24H31F3N6/c25-24(26,27)20-7-5-19(6-8-20)18-30-13-15-32(16-14-30)22-17-21(31-9-1-2-10-31)28-23(29-22)33-11-3-4-12-33/h5-8,17H,1-4,9-16,18H2
InChIKeyUTNIELHSQXTLFN-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.02
Rot. Bonds5

About 2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine

2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine (PubChem CID 134151245) has the molecular formula C24H31F3N6 and a molecular weight of 460.55 g/mol. Its IUPAC name is 2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine
PubChem CID134151245
Molecular FormulaC24H31F3N6
Molecular Weight460.55 g/mol
Exact Mass460.26
IUPAC Name2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine
SMILESFC(F)(F)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1
InChIInChI=1S/C24H31F3N6/c25-24(26,27)20-7-5-19(6-8-20)18-30-13-15-32(16-14-30)22-17-21(31-9-1-2-10-31)28-23(29-22)33-11-3-4-12-33/h5-8,17H,1-4,9-16,18H2
InChIKeyUTNIELHSQXTLFN-UHFFFAOYSA-N
XLogP4.02
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine (CID 134151245) is 2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine is FC(F)(F)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1.
What is the InChIKey of 2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The InChIKey is UTNIELHSQXTLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N6/c25-24(26,27)20-7-5-19(6-8-20)18-30-13-15-32(16-14-30)22-17-21(31-9-1-2-10-31)28-23(29-22)33-11-3-4-12-33/h5-8,17H,1-4,9-16,18H2.
What are the key properties of 2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine has a molecular weight of 460.55 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 134151245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).