2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide

C20H21N5O2 — CID 91887437

IUPAC2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)c1
InChIInChI=1S/C20H21N5O2/c1-4-15-6-5-7-16(10-15)24-18(26)12-25-19(17-11-21-8-9-22-17)23-14(3)13(2)20(25)27/h5-11H,4,12H2,1-3H3,(H,24,26)
InChIKeyICYGWXTUMIIEMT-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.52
Rot. Bonds5

About 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide

2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide (PubChem CID 91887437) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide
PubChem CID91887437
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)c1
InChIInChI=1S/C20H21N5O2/c1-4-15-6-5-7-16(10-15)24-18(26)12-25-19(17-11-21-8-9-22-17)23-14(3)13(2)20(25)27/h5-11H,4,12H2,1-3H3,(H,24,26)
InChIKeyICYGWXTUMIIEMT-UHFFFAOYSA-N
XLogP2.52
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide (CID 91887437) is 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)c1.
What is the InChIKey of 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide?
The InChIKey is ICYGWXTUMIIEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-4-15-6-5-7-16(10-15)24-18(26)12-25-19(17-11-21-8-9-22-17)23-14(3)13(2)20(25)27/h5-11H,4,12H2,1-3H3,(H,24,26).
What are the key properties of 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide?
2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 91887437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).