2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid

C15H13N3O3 — CID 95916394

IUPAC2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid
SMILESCn1cc(-c2ccccc2)c2ncn(CC(=O)O)c(=O)c21
InChIInChI=1S/C15H13N3O3/c1-17-7-11(10-5-3-2-4-6-10)13-14(17)15(21)18(9-16-13)8-12(19)20/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyUXKXUPVZKWVWLJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.49
Rot. Bonds3

About 2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid

2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid (PubChem CID 95916394) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid
PubChem CID95916394
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid
SMILESCn1cc(-c2ccccc2)c2ncn(CC(=O)O)c(=O)c21
InChIInChI=1S/C15H13N3O3/c1-17-7-11(10-5-3-2-4-6-10)13-14(17)15(21)18(9-16-13)8-12(19)20/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyUXKXUPVZKWVWLJ-UHFFFAOYSA-N
XLogP1.49
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-7-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-one
CID 95920139
N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide
CID 95920144
N-(2-chlorophenyl)-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363815
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 51364169
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide
CID 51363834
2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
CID 53011903
methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 51363752
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-(2,4,6-trimethylphenyl)acetamide
CID 51363764
N-(3-chlorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363762
2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 51363753
5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one
CID 95919981

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid (CID 95916394) is 2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid is Cn1cc(-c2ccccc2)c2ncn(CC(=O)O)c(=O)c21.
What is the InChIKey of 2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid?
The InChIKey is UXKXUPVZKWVWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-17-7-11(10-5-3-2-4-6-10)13-14(17)15(21)18(9-16-13)8-12(19)20/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of 2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid?
2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid has a molecular weight of 283.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 95916394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).