2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine

C23H26FN5 — CID 112932687

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(-c2ccccc2)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C23H26FN5/c1-17(2)25-22-16-21(18-6-4-3-5-7-18)26-23(27-22)29-14-12-28(13-15-29)20-10-8-19(24)9-11-20/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)
InChIKeyIIWIKQCZUDSEDE-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.43
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine

2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 112932687) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID112932687
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(-c2ccccc2)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C23H26FN5/c1-17(2)25-22-16-21(18-6-4-3-5-7-18)26-23(27-22)29-14-12-28(13-15-29)20-10-8-19(24)9-11-20/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)
InChIKeyIIWIKQCZUDSEDE-UHFFFAOYSA-N
XLogP4.43
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 112932695
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936417
4-[4-(4-fluoroanilino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936647
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112882012
N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934325
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112932936
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine (CID 112932687) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1cc(-c2ccccc2)nc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is IIWIKQCZUDSEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-17(2)25-22-16-21(18-6-4-3-5-7-18)26-23(27-22)29-14-12-28(13-15-29)20-10-8-19(24)9-11-20/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine?
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 391.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 112932687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).