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

C21H23N5O5 — CID 91887452

IUPAC2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)cc(OC)c1OC
InChIInChI=1S/C21H23N5O5/c1-12-13(2)24-20(15-10-22-6-7-23-15)26(21(12)28)11-18(27)25-14-8-16(29-3)19(31-5)17(9-14)30-4/h6-10H,11H2,1-5H3,(H,25,27)
InChIKeyWJSKNSDHAFJUSX-UHFFFAOYSA-N
MW425.45 g/mol
LogP1.98
Rot. Bonds7

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

2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 91887452) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID91887452
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)cc(OC)c1OC
InChIInChI=1S/C21H23N5O5/c1-12-13(2)24-20(15-10-22-6-7-23-15)26(21(12)28)11-18(27)25-14-8-16(29-3)19(31-5)17(9-14)30-4/h6-10H,11H2,1-5H3,(H,25,27)
InChIKeyWJSKNSDHAFJUSX-UHFFFAOYSA-N
XLogP1.98
TPSA117.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 175667175
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51369001
2-(5,11-dimethyl-2-oxo-10-thia-1,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8,11-tetraen-4-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53019629
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 35380372
2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2592805
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029
N-(3,4-dimethylphenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
CID 53014423
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2498004
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56685539
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42902520

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 91887452) is 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)cc(OC)c1OC.
What is the InChIKey of 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is WJSKNSDHAFJUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5/c1-12-13(2)24-20(15-10-22-6-7-23-15)26(21(12)28)11-18(27)25-14-8-16(29-3)19(31-5)17(9-14)30-4/h6-10H,11H2,1-5H3,(H,25,27).
What are the key properties of 2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 425.45 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 91887452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).