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

C17H18N4O4 — CID 57393399

IUPAC2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H18N4O4/c1-19-13-8-9-21(15(13)16(23)20(2)17(19)24)10-14(22)18-11-4-6-12(25-3)7-5-11/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyIRAUQNWKRCJYOL-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.69
Rot. Bonds4

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

2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 57393399) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID57393399
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H18N4O4/c1-19-13-8-9-21(15(13)16(23)20(2)17(19)24)10-14(22)18-11-4-6-12(25-3)7-5-11/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyIRAUQNWKRCJYOL-UHFFFAOYSA-N
XLogP0.69
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide (CID 57393399) is 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ccc3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is IRAUQNWKRCJYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-19-13-8-9-21(15(13)16(23)20(2)17(19)24)10-14(22)18-11-4-6-12(25-3)7-5-11/h4-9H,10H2,1-3H3,(H,18,22).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide?
2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 342.36 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 57393399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).