2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone

C24H27N5O — CID 56537209

IUPAC2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)c1ccccc1
InChIInChI=1S/C24H27N5O/c1-2-27(21-11-7-4-8-12-21)19-23(30)29-17-15-28(16-18-29)22-13-14-25-24(26-22)20-9-5-3-6-10-20/h3-14H,2,15-19H2,1H3
InChIKeyJPSCAJKUHCNGBV-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.32
Rot. Bonds6

About 2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone

2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 56537209) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID56537209
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)c1ccccc1
InChIInChI=1S/C24H27N5O/c1-2-27(21-11-7-4-8-12-21)19-23(30)29-17-15-28(16-18-29)22-13-14-25-24(26-22)20-9-5-3-6-10-20/h3-14H,2,15-19H2,1H3
InChIKeyJPSCAJKUHCNGBV-UHFFFAOYSA-N
XLogP3.32
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 56537209) is 2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone is CCN(CC(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)c1ccccc1.
What is the InChIKey of 2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is JPSCAJKUHCNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-2-27(21-11-7-4-8-12-21)19-23(30)29-17-15-28(16-18-29)22-13-14-25-24(26-22)20-9-5-3-6-10-20/h3-14H,2,15-19H2,1H3.
What are the key properties of 2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone?
2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 401.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56537209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).