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

C24H27N5O2 — CID 91903937

IUPAC2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(N3CCN(c4ccccc4)CC3)nc(C)cc2=O)cc1
InChIInChI=1S/C24H27N5O2/c1-18-8-10-20(11-9-18)26-22(30)17-29-23(31)16-19(2)25-24(29)28-14-12-27(13-15-28)21-6-4-3-5-7-21/h3-11,16H,12-15,17H2,1-2H3,(H,26,30)
InChIKeyFKXQFVGEOPLVBW-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.83
Rot. Bonds5

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

2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 91903937) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID91903937
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(N3CCN(c4ccccc4)CC3)nc(C)cc2=O)cc1
InChIInChI=1S/C24H27N5O2/c1-18-8-10-20(11-9-18)26-22(30)17-29-23(31)16-19(2)25-24(29)28-14-12-27(13-15-28)21-6-4-3-5-7-21/h3-11,16H,12-15,17H2,1-2H3,(H,26,30)
InChIKeyFKXQFVGEOPLVBW-UHFFFAOYSA-N
XLogP2.83
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201688
N-[(3-methoxyphenyl)methyl]-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide
CID 71802647
N-(2-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201687
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
CID 79370542
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91903903
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91887505
2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 91904033
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N-(2-chloro-4-methylphenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91903908
2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
CID 10923044
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201691
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide (CID 91903937) is 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(N3CCN(c4ccccc4)CC3)nc(C)cc2=O)cc1.
What is the InChIKey of 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is FKXQFVGEOPLVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18-8-10-20(11-9-18)26-22(30)17-29-23(31)16-19(2)25-24(29)28-14-12-27(13-15-28)21-6-4-3-5-7-21/h3-11,16H,12-15,17H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 91903937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).