5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine

C27H32F2N6 — CID 89446822

IUPAC5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(N2CCN(C(CN3CCCCC3)c3cccc(F)c3)CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C27H32F2N6/c28-22-9-7-20(8-10-22)25-26(30)31-19-32-27(25)35-15-13-34(14-16-35)24(18-33-11-2-1-3-12-33)21-5-4-6-23(29)17-21/h4-10,17,19,24H,1-3,11-16,18H2,(H2,30,31,32)
InChIKeyPZJIROPGHLJDJY-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.35
Rot. Bonds6

About 5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine

5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 89446822) has the molecular formula C27H32F2N6 and a molecular weight of 478.59 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID89446822
Molecular FormulaC27H32F2N6
Molecular Weight478.59 g/mol
Exact Mass478.27
IUPAC Name5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(N2CCN(C(CN3CCCCC3)c3cccc(F)c3)CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C27H32F2N6/c28-22-9-7-20(8-10-22)25-26(30)31-19-32-27(25)35-15-13-34(14-16-35)24(18-33-11-2-1-3-12-33)21-5-4-6-23(29)17-21/h4-10,17,19,24H,1-3,11-16,18H2,(H2,30,31,32)
InChIKeyPZJIROPGHLJDJY-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

Analyze 5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine (CID 89446822) is 5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine is Nc1ncnc(N2CCN(C(CN3CCCCC3)c3cccc(F)c3)CC2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is PZJIROPGHLJDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N6/c28-22-9-7-20(8-10-22)25-26(30)31-19-32-27(25)35-15-13-34(14-16-35)24(18-33-11-2-1-3-12-33)21-5-4-6-23(29)17-21/h4-10,17,19,24H,1-3,11-16,18H2,(H2,30,31,32).
What are the key properties of 5-(4-fluorophenyl)-6-[4-[1-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
5-(4-fluorophenyl)-6-[4-[1-(3-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-(3-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 89446822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).