2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide

C28H27N5O — CID 90545188

IUPAC2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C28H27N5O/c34-28(19-22-11-13-24(14-12-22)23-7-3-1-4-8-23)31-26-20-27(30-21-29-26)33-17-15-32(16-18-33)25-9-5-2-6-10-25/h1-14,20-21H,15-19H2,(H,29,30,31,34)
InChIKeyNPUXQGUDEOUBHP-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.65
Rot. Bonds6

About 2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide

2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 90545188) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
PubChem CID90545188
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC Name2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C28H27N5O/c34-28(19-22-11-13-24(14-12-22)23-7-3-1-4-8-23)31-26-20-27(30-21-29-26)33-17-15-32(16-18-33)25-9-5-2-6-10-25/h1-14,20-21H,15-19H2,(H,29,30,31,34)
InChIKeyNPUXQGUDEOUBHP-UHFFFAOYSA-N
XLogP4.65
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545509
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545517
2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545341
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90545273
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide (CID 90545188) is 2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1.
What is the InChIKey of 2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is NPUXQGUDEOUBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c34-28(19-22-11-13-24(14-12-22)23-7-3-1-4-8-23)31-26-20-27(30-21-29-26)33-17-15-32(16-18-33)25-9-5-2-6-10-25/h1-14,20-21H,15-19H2,(H,29,30,31,34).
What are the key properties of 2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 449.56 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 90545188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).