4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine

C23H27N5 — CID 112896283

IUPAC4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
SMILESCCN(c1ccccc1)c1nccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H27N5/c1-2-28(21-11-7-4-8-12-21)23-24-14-13-22(25-23)27-17-15-26(16-18-27)19-20-9-5-3-6-10-20/h3-14H,2,15-19H2,1H3
InChIKeyZZQGYAGGOXSXEX-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.96
Rot. Bonds6

About 4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine

4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine (PubChem CID 112896283) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
PubChem CID112896283
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
SMILESCCN(c1ccccc1)c1nccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H27N5/c1-2-28(21-11-7-4-8-12-21)23-24-14-13-22(25-23)27-17-15-26(16-18-27)19-20-9-5-3-6-10-20/h3-14H,2,15-19H2,1H3
InChIKeyZZQGYAGGOXSXEX-UHFFFAOYSA-N
XLogP3.96
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 112898489
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112900846
2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109309414
N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884459
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 154575829
N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112887954

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine (CID 112896283) is 4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine is CCN(c1ccccc1)c1nccc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine?
The InChIKey is ZZQGYAGGOXSXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-2-28(21-11-7-4-8-12-21)23-24-14-13-22(25-23)27-17-15-26(16-18-27)19-20-9-5-3-6-10-20/h3-14H,2,15-19H2,1H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine?
4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine has a molecular weight of 373.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 112896283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).