N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide

C23H24BrN5O2 — CID 91903956

IUPACN-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H24BrN5O2/c1-17-15-22(31)29(16-21(30)26-19-9-7-18(24)8-10-19)23(25-17)28-13-11-27(12-14-28)20-5-3-2-4-6-20/h2-10,15H,11-14,16H2,1H3,(H,26,30)
InChIKeyIDDLHEXINGCFOQ-UHFFFAOYSA-N
MW482.38 g/mol
LogP3.28
Rot. Bonds5

About N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide

N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide (PubChem CID 91903956) has the molecular formula C23H24BrN5O2 and a molecular weight of 482.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide
PubChem CID91903956
Molecular FormulaC23H24BrN5O2
Molecular Weight482.38 g/mol
Exact Mass481.11
IUPAC NameN-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H24BrN5O2/c1-17-15-22(31)29(16-21(30)26-19-9-7-18(24)8-10-19)23(25-17)28-13-11-27(12-14-28)20-5-3-2-4-6-20/h2-10,15H,11-14,16H2,1H3,(H,26,30)
InChIKeyIDDLHEXINGCFOQ-UHFFFAOYSA-N
XLogP3.28
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide (CID 91903956) is N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
The InChIKey is IDDLHEXINGCFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN5O2/c1-17-15-22(31)29(16-21(30)26-19-9-7-18(24)8-10-19)23(25-17)28-13-11-27(12-14-28)20-5-3-2-4-6-20/h2-10,15H,11-14,16H2,1H3,(H,26,30).
What are the key properties of N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide has a molecular weight of 482.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 91903956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).