2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide

C22H20N4O2 — CID 53011903

IUPAC2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
SMILESCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3)c2c1=O
InChIInChI=1S/C22H20N4O2/c1-2-25-15-23-20-18(16-9-5-3-6-10-16)13-26(21(20)22(25)28)14-19(27)24-17-11-7-4-8-12-17/h3-13,15H,2,14H2,1H3,(H,24,27)
InChIKeyFMWIAYPYRZQMLL-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.52
Rot. Bonds5

About 2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide

2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide (PubChem CID 53011903) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
PubChem CID53011903
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
SMILESCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3)c2c1=O
InChIInChI=1S/C22H20N4O2/c1-2-25-15-23-20-18(16-9-5-3-6-10-16)13-26(21(20)22(25)28)14-19(27)24-17-11-7-4-8-12-17/h3-13,15H,2,14H2,1H3,(H,24,27)
InChIKeyFMWIAYPYRZQMLL-UHFFFAOYSA-N
XLogP3.52
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 53002923
N-(4-cyanophenyl)-2-[3-(3-methoxypropyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 53131691
N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131727
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 53131628
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 53131611
N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131744
2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid
CID 95916394
2-(11-methyl-6-oxo-13-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-yl)-N-phenylacetamide
CID 50807179
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide
CID 53131615
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide
CID 51363834
N-(furan-2-ylmethyl)-2-[3-(3-methoxypropyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 53131709
N-(4-fluorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363757

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide (CID 53011903) is 2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide is CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3)c2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide?
The InChIKey is FMWIAYPYRZQMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-2-25-15-23-20-18(16-9-5-3-6-10-16)13-26(21(20)22(25)28)14-19(27)24-17-11-7-4-8-12-17/h3-13,15H,2,14H2,1H3,(H,24,27).
What are the key properties of 2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide?
2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide has a molecular weight of 372.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide is sourced from PubChem (CID 53011903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).