N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine

C22H23F2N5 — CID 112861382

IUPACN-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESFc1ccc(CCNc2cc(N3CCN(c4ccc(F)cc4)CC3)ncn2)cc1
InChIInChI=1S/C22H23F2N5/c23-18-3-1-17(2-4-18)9-10-25-21-15-22(27-16-26-21)29-13-11-28(12-14-29)20-7-5-19(24)6-8-20/h1-8,15-16H,9-14H2,(H,25,26,27)
InChIKeyMDLOWDFBVQDXDI-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.74
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine

N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112861382) has the molecular formula C22H23F2N5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112861382
Molecular FormulaC22H23F2N5
Molecular Weight395.46 g/mol
Exact Mass395.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESFc1ccc(CCNc2cc(N3CCN(c4ccc(F)cc4)CC3)ncn2)cc1
InChIInChI=1S/C22H23F2N5/c23-18-3-1-17(2-4-18)9-10-25-21-15-22(27-16-26-21)29-13-11-28(12-14-29)20-7-5-19(24)6-8-20/h1-8,15-16H,9-14H2,(H,25,26,27)
InChIKeyMDLOWDFBVQDXDI-UHFFFAOYSA-N
XLogP3.74
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)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

Related Compounds

1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858398
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909931
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858906
N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155942152
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 122282628
4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
CID 115416249
4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 112856046
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112861382) is N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is Fc1ccc(CCNc2cc(N3CCN(c4ccc(F)cc4)CC3)ncn2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is MDLOWDFBVQDXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5/c23-18-3-1-17(2-4-18)9-10-25-21-15-22(27-16-26-21)29-13-11-28(12-14-29)20-7-5-19(24)6-8-20/h1-8,15-16H,9-14H2,(H,25,26,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 395.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112861382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).