N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine

C22H24FN5 — CID 112890826

IUPACN-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C22H24FN5/c1-26(17-18-7-3-2-4-8-18)21-11-12-24-22(25-21)28-15-13-27(14-16-28)20-10-6-5-9-19(20)23/h2-12H,13-17H2,1H3
InChIKeyFEJHDKMTVBHTLE-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.58
Rot. Bonds5

About N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine

N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 112890826) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID112890826
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC NameN-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C22H24FN5/c1-26(17-18-7-3-2-4-8-18)21-11-12-24-22(25-21)28-15-13-27(14-16-28)20-10-6-5-9-19(20)23/h2-12H,13-17H2,1H3
InChIKeyFEJHDKMTVBHTLE-UHFFFAOYSA-N
XLogP3.58
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890848
N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112890827
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112890854
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 112884673
N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112951576
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 115978112
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
2-(4-benzylpiperazin-1-yl)-N-butyl-N-methylpyrimidin-4-amine
CID 112896327
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112872203
N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 112890842

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine (CID 112890826) is N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine is CN(Cc1ccccc1)c1ccnc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is FEJHDKMTVBHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-26(17-18-7-3-2-4-8-18)21-11-12-24-22(25-21)28-15-13-27(14-16-28)20-10-6-5-9-19(20)23/h2-12H,13-17H2,1H3.
What are the key properties of N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 377.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 112890826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).