2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C23H25N3O3 — CID 51368498

IUPAC2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)14-24-21(28)15-26-22(19-6-4-3-5-7-19)25-17(2)20(12-13-27)23(26)29/h3-11,27H,12-15H2,1-2H3,(H,24,28)
InChIKeyNZZKNHHELQRGDP-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.38
Rot. Bonds7

About 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 51368498) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID51368498
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)14-24-21(28)15-26-22(19-6-4-3-5-7-19)25-17(2)20(12-13-27)23(26)29/h3-11,27H,12-15H2,1-2H3,(H,24,28)
InChIKeyNZZKNHHELQRGDP-UHFFFAOYSA-N
XLogP2.38
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 51368498) is 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1.
What is the InChIKey of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NZZKNHHELQRGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)14-24-21(28)15-26-22(19-6-4-3-5-7-19)25-17(2)20(12-13-27)23(26)29/h3-11,27H,12-15H2,1-2H3,(H,24,28).
What are the key properties of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 51368498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).