N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide

C28H27N5O — CID 50751160

IUPACN-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C28H27N5O/c34-27(21-32-16-18-33(19-17-32)24-14-8-3-9-15-24)31-28-29-25(22-10-4-1-5-11-22)20-26(30-28)23-12-6-2-7-13-23/h1-15,20H,16-19,21H2,(H,29,30,31,34)
InChIKeyYGEZJLIIUPXAHZ-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.57
Rot. Bonds6

About N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 50751160) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID50751160
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC NameN-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C28H27N5O/c34-27(21-32-16-18-33(19-17-32)24-14-8-3-9-15-24)31-28-29-25(22-10-4-1-5-11-22)20-26(30-28)23-12-6-2-7-13-23/h1-15,20H,16-19,21H2,(H,29,30,31,34)
InChIKeyYGEZJLIIUPXAHZ-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 50751160) is N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is YGEZJLIIUPXAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c34-27(21-32-16-18-33(19-17-32)24-14-8-3-9-15-24)31-28-29-25(22-10-4-1-5-11-22)20-26(30-28)23-12-6-2-7-13-23/h1-15,20H,16-19,21H2,(H,29,30,31,34).
What are the key properties of N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 449.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 50751160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).