4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine

C22H24FN5 — CID 112890151

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1cccc(CNc2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)c1
InChIInChI=1S/C22H24FN5/c1-17-3-2-4-18(15-17)16-25-22-24-10-9-21(26-22)28-13-11-27(12-14-28)20-7-5-19(23)6-8-20/h2-10,15H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyQUADOBTWJGNGQD-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.86
Rot. Bonds5

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine

4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine (PubChem CID 112890151) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
PubChem CID112890151
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1cccc(CNc2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)c1
InChIInChI=1S/C22H24FN5/c1-17-3-2-4-18(15-17)16-25-22-24-10-9-21(26-22)28-13-11-27(12-14-28)20-7-5-19(23)6-8-20/h2-10,15H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyQUADOBTWJGNGQD-UHFFFAOYSA-N
XLogP3.86
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-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

5-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948395
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885883
4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891536
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112887479
N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112883711
4-methyl-N-[(3-methylphenyl)methyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112916237
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890188
4-[2-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888510
N-[(4-fluorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112891387
N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896423
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112896577

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine (CID 112890151) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine is Cc1cccc(CNc2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)c1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is QUADOBTWJGNGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-17-3-2-4-18(15-17)16-25-22-24-10-9-21(26-22)28-13-11-27(12-14-28)20-7-5-19(23)6-8-20/h2-10,15H,11-14,16H2,1H3,(H,24,25,26).
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112890151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).