4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine

C22H24FN5 — CID 112922111

IUPAC4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C22H24FN5/c1-17-15-21(26-22(24-17)25-20-10-6-5-9-19(20)23)28-13-11-27(12-14-28)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyWLOTTYWVOGURKT-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.99
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine

4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine (PubChem CID 112922111) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine
PubChem CID112922111
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C22H24FN5/c1-17-15-21(26-22(24-17)25-20-10-6-5-9-19(20)23)28-13-11-27(12-14-28)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyWLOTTYWVOGURKT-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-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

Blonanserin
CID 125564
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Revaprazan
CID 204104
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
Nct-503
CID 118796328
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Revaprazan Hydrochloride
CID 204103

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine (CID 112922111) is 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCN(Cc3ccccc3)CC2)nc(Nc2ccccc2F)n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine?
The InChIKey is WLOTTYWVOGURKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-17-15-21(26-22(24-17)25-20-10-6-5-9-19(20)23)28-13-11-27(12-14-28)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25,26).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine?
4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112922111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).