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

C24H26ClN5O3 — CID 91903952

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1c(N2CCN(c3ccccc3)CC2)nc(C)cc1=O
InChIInChI=1S/C24H26ClN5O3/c1-17-14-23(32)30(16-22(31)27-20-15-18(25)8-9-21(20)33-2)24(26-17)29-12-10-28(11-13-29)19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,31)
InChIKeyZZFXPWPNSOCVQT-UHFFFAOYSA-N
MW467.96 g/mol
LogP3.18
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide (PubChem CID 91903952) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide
PubChem CID91903952
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1c(N2CCN(c3ccccc3)CC2)nc(C)cc1=O
InChIInChI=1S/C24H26ClN5O3/c1-17-14-23(32)30(16-22(31)27-20-15-18(25)8-9-21(20)33-2)24(26-17)29-12-10-28(11-13-29)19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,31)
InChIKeyZZFXPWPNSOCVQT-UHFFFAOYSA-N
XLogP3.18
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide (CID 91903952) is N-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)Cn1c(N2CCN(c3ccccc3)CC2)nc(C)cc1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
The InChIKey is ZZFXPWPNSOCVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-17-14-23(32)30(16-22(31)27-20-15-18(25)8-9-21(20)33-2)24(26-17)29-12-10-28(11-13-29)19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,31).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide has a molecular weight of 467.96 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 91903952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).