4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile

C22H20FN5 — CID 2767121

IUPAC4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile
SMILESCN1CCN(c2nc(-c3ccccc3)nc(-c3ccc(F)cc3)c2C#N)CC1
InChIInChI=1S/C22H20FN5/c1-27-11-13-28(14-12-27)22-19(15-24)20(16-7-9-18(23)10-8-16)25-21(26-22)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyQFHHIFJRXZPZTA-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.57
Rot. Bonds3

About 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile

4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile (PubChem CID 2767121) has the molecular formula C22H20FN5 and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile
PubChem CID2767121
Molecular FormulaC22H20FN5
Molecular Weight373.44 g/mol
Exact Mass373.17
IUPAC Name4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile
SMILESCN1CCN(c2nc(-c3ccccc3)nc(-c3ccc(F)cc3)c2C#N)CC1
InChIInChI=1S/C22H20FN5/c1-27-11-13-28(14-12-27)22-19(15-24)20(16-7-9-18(23)10-8-16)25-21(26-22)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyQFHHIFJRXZPZTA-UHFFFAOYSA-N
XLogP3.57
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile 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 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile (CID 2767121) is 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile is CN1CCN(c2nc(-c3ccccc3)nc(-c3ccc(F)cc3)c2C#N)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile?
The InChIKey is QFHHIFJRXZPZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5/c1-27-11-13-28(14-12-27)22-19(15-24)20(16-7-9-18(23)10-8-16)25-21(26-22)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile?
4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile has a molecular weight of 373.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2767121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).