4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine

C20H20FN5O — CID 19152575

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
SMILESNc1c(Oc2ccccc2)ncnc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN5O/c21-15-6-8-16(9-7-15)25-10-12-26(13-11-25)19-18(22)20(24-14-23-19)27-17-4-2-1-3-5-17/h1-9,14H,10-13,22H2
InChIKeyZGLPUBQSILSJMV-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.32
Rot. Bonds4

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine

4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine (PubChem CID 19152575) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
PubChem CID19152575
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
SMILESNc1c(Oc2ccccc2)ncnc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN5O/c21-15-6-8-16(9-7-15)25-10-12-26(13-11-25)19-18(22)20(24-14-23-19)27-17-4-2-1-3-5-17/h1-9,14H,10-13,22H2
InChIKeyZGLPUBQSILSJMV-UHFFFAOYSA-N
XLogP3.32
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-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

4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19153728
4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152572
4-(2-methoxyphenoxy)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19139037
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19137206
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
CID 19147484
4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine
CID 19139509
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23482308
4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152632
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
6-[4-(4-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147855
4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
CID 19137603

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine (CID 19152575) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine is Nc1c(Oc2ccccc2)ncnc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine?
The InChIKey is ZGLPUBQSILSJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-15-6-8-16(9-7-15)25-10-12-26(13-11-25)19-18(22)20(24-14-23-19)27-17-4-2-1-3-5-17/h1-9,14H,10-13,22H2.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine?
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine has a molecular weight of 365.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine is sourced from PubChem (CID 19152575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).