N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide

C24H26ClN5O2 — CID 91903953

IUPACN-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C24H26ClN5O2/c1-17-8-9-19(25)15-21(17)27-22(31)16-30-23(32)14-18(2)26-24(30)29-12-10-28(11-13-29)20-6-4-3-5-7-20/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,31)
InChIKeyRNQNENBRKPMLEY-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.48
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide (PubChem CID 91903953) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide
PubChem CID91903953
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C24H26ClN5O2/c1-17-8-9-19(25)15-21(17)27-22(31)16-30-23(32)14-18(2)26-24(30)29-12-10-28(11-13-29)20-6-4-3-5-7-20/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,31)
InChIKeyRNQNENBRKPMLEY-UHFFFAOYSA-N
XLogP3.48
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide (CID 91903953) is N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide is Cc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
The InChIKey is RNQNENBRKPMLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-17-8-9-19(25)15-21(17)27-22(31)16-30-23(32)14-18(2)26-24(30)29-12-10-28(11-13-29)20-6-4-3-5-7-20/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,31).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide has a molecular weight of 451.96 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 91903953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).