N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide

C20H24N4O5 — CID 91916979

IUPACN-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide
SMILESCCn1c(=O)c2c(cc(C)n2C)n(CC(=O)Nc2cc(OC)cc(OC)c2)c1=O
InChIInChI=1S/C20H24N4O5/c1-6-23-19(26)18-16(7-12(2)22(18)3)24(20(23)27)11-17(25)21-13-8-14(28-4)10-15(9-13)29-5/h7-10H,6,11H2,1-5H3,(H,21,25)
InChIKeyXEYVFCXZGVGFDL-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.49
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide (PubChem CID 91916979) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide
PubChem CID91916979
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide
SMILESCCn1c(=O)c2c(cc(C)n2C)n(CC(=O)Nc2cc(OC)cc(OC)c2)c1=O
InChIInChI=1S/C20H24N4O5/c1-6-23-19(26)18-16(7-12(2)22(18)3)24(20(23)27)11-17(25)21-13-8-14(28-4)10-15(9-13)29-5/h7-10H,6,11H2,1-5H3,(H,21,25)
InChIKeyXEYVFCXZGVGFDL-UHFFFAOYSA-N
XLogP1.49
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[[2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetyl]amino]benzoate
CID 91916970
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
N-(2,4-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl]acetamide
CID 91917058
2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 91906853
2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 91917123
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 4040421
N-(3,5-dimethoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-4-yl)acetamide
CID 91908675
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
N-(3,5-dimethoxyphenyl)-2-[3-[(3-ethoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923552
N-(3,4-dimethoxyphenyl)-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486215
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide (CID 91916979) is N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide is CCn1c(=O)c2c(cc(C)n2C)n(CC(=O)Nc2cc(OC)cc(OC)c2)c1=O.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
The InChIKey is XEYVFCXZGVGFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-6-23-19(26)18-16(7-12(2)22(18)3)24(20(23)27)11-17(25)21-13-8-14(28-4)10-15(9-13)29-5/h7-10H,6,11H2,1-5H3,(H,21,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide has a molecular weight of 400.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 91916979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).