5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine

C27H32F2N6 — CID 89442435

IUPAC5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(N2CCN(C(CN3CCCCC3)c3ccc(F)cc3)CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C27H32F2N6/c28-22-8-4-20(5-9-22)24(18-33-12-2-1-3-13-33)34-14-16-35(17-15-34)27-25(26(30)31-19-32-27)21-6-10-23(29)11-7-21/h4-11,19,24H,1-3,12-18H2,(H2,30,31,32)
InChIKeyCKOVQFRNHWIDIS-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.35
Rot. Bonds6

About 5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine

5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 89442435) has the molecular formula C27H32F2N6 and a molecular weight of 478.59 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID89442435
Molecular FormulaC27H32F2N6
Molecular Weight478.59 g/mol
Exact Mass478.27
IUPAC Name5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(N2CCN(C(CN3CCCCC3)c3ccc(F)cc3)CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C27H32F2N6/c28-22-8-4-20(5-9-22)24(18-33-12-2-1-3-13-33)34-14-16-35(17-15-34)27-25(26(30)31-19-32-27)21-6-10-23(29)11-7-21/h4-11,19,24H,1-3,12-18H2,(H2,30,31,32)
InChIKeyCKOVQFRNHWIDIS-UHFFFAOYSA-N
XLogP4.35
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine (CID 89442435) is 5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine is Nc1ncnc(N2CCN(C(CN3CCCCC3)c3ccc(F)cc3)CC2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is CKOVQFRNHWIDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N6/c28-22-8-4-20(5-9-22)24(18-33-12-2-1-3-13-33)34-14-16-35(17-15-34)27-25(26(30)31-19-32-27)21-6-10-23(29)11-7-21/h4-11,19,24H,1-3,12-18H2,(H2,30,31,32).
What are the key properties of 5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 478.59 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 89442435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).