2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide

C22H19FN4O3 — CID 91917002

IUPAC2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESCc1cc2c(c(=O)n(-c3ccccc3)c(=O)n2CC(=O)Nc2ccccc2F)n1C
InChIInChI=1S/C22H19FN4O3/c1-14-12-18-20(25(14)2)21(29)27(15-8-4-3-5-9-15)22(30)26(18)13-19(28)24-17-11-7-6-10-16(17)23/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyDBJUKZZXRUGFPM-UHFFFAOYSA-N
MW406.42 g/mol
LogP2.58
Rot. Bonds4

About 2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide

2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 91917002) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
PubChem CID91917002
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESCc1cc2c(c(=O)n(-c3ccccc3)c(=O)n2CC(=O)Nc2ccccc2F)n1C
InChIInChI=1S/C22H19FN4O3/c1-14-12-18-20(25(14)2)21(29)27(15-8-4-3-5-9-15)22(30)26(18)13-19(28)24-17-11-7-6-10-16(17)23/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyDBJUKZZXRUGFPM-UHFFFAOYSA-N
XLogP2.58
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide (CID 91917002) is 2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide is Cc1cc2c(c(=O)n(-c3ccccc3)c(=O)n2CC(=O)Nc2ccccc2F)n1C.
What is the InChIKey of 2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is DBJUKZZXRUGFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-14-12-18-20(25(14)2)21(29)27(15-8-4-3-5-9-15)22(30)26(18)13-19(28)24-17-11-7-6-10-16(17)23/h3-12H,13H2,1-2H3,(H,24,28).
What are the key properties of 2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 406.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2,4-dioxo-3-phenylpyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 91917002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).