2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide

C25H26N4O3 — CID 51363764

IUPAC2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)cnc23)c1
InChIInChI=1S/C25H26N4O3/c1-15-9-16(2)22(17(3)10-15)27-21(30)13-29-14-26-23-20(12-28(4)24(23)25(29)31)18-7-6-8-19(11-18)32-5/h6-12,14H,13H2,1-5H3,(H,27,30)
InChIKeyXTUVCKYRBINQMY-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.97
Rot. Bonds5

About 2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 51363764) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID51363764
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)cnc23)c1
InChIInChI=1S/C25H26N4O3/c1-15-9-16(2)22(17(3)10-15)27-21(30)13-29-14-26-23-20(12-28(4)24(23)25(29)31)18-7-6-8-19(11-18)32-5/h6-12,14H,13H2,1-5H3,(H,27,30)
InChIKeyXTUVCKYRBINQMY-UHFFFAOYSA-N
XLogP3.97
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363757
2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 51363753
N-(3-chlorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363762
methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 51363752
N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363758
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide
CID 51363834
2-[3-(4-methoxyphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20869733
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95920151
2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid
CID 95916394
N-(2-chlorophenyl)-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363815
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53014407
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 51364169

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 51363764) is 2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide is COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)cnc23)c1.
What is the InChIKey of 2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is XTUVCKYRBINQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-15-9-16(2)22(17(3)10-15)27-21(30)13-29-14-26-23-20(12-28(4)24(23)25(29)31)18-7-6-8-19(11-18)32-5/h6-12,14H,13H2,1-5H3,(H,27,30).
What are the key properties of 2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 430.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 51363764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).