N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine

C22H24FN5 — CID 112859436

IUPACN-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C22H24FN5/c1-26(16-18-5-3-2-4-6-18)21-15-22(25-17-24-21)28-13-11-27(12-14-28)20-9-7-19(23)8-10-20/h2-10,15,17H,11-14,16H2,1H3
InChIKeyGJSZHJYXQPDRAW-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.58
Rot. Bonds5

About N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine

N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 112859436) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID112859436
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC NameN-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C22H24FN5/c1-26(16-18-5-3-2-4-6-18)21-15-22(25-17-24-21)28-13-11-27(12-14-28)20-9-7-19(23)8-10-20/h2-10,15,17H,11-14,16H2,1H3
InChIKeyGJSZHJYXQPDRAW-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

4-[6-[benzyl(methyl)amino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858208
N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112861788
4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
CID 115416249
N-benzyl-6-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112859475
6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine
CID 100640999
N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855661
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890848
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858906
N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112872203
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909931

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine (CID 112859436) is N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine is CN(Cc1ccccc1)c1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1.
What is the InChIKey of N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is GJSZHJYXQPDRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-26(16-18-5-3-2-4-6-18)21-15-22(25-17-24-21)28-13-11-27(12-14-28)20-9-7-19(23)8-10-20/h2-10,15,17H,11-14,16H2,1H3.
What are the key properties of N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
N-benzyl-6-[4-(4-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-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 112859436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).