5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C21H20N4O3 — CID 664086

IUPAC5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccccn2)cc1
InChIInChI=1S/C21H20N4O3/c1-23-17-13-25(12-15-6-4-5-11-22-15)19(14-7-9-16(28-3)10-8-14)18(17)20(26)24(2)21(23)27/h4-11,13H,12H2,1-3H3
InChIKeyIUVZVQJMTNCJFN-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.16
Rot. Bonds4

About 5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 664086) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID664086
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccccn2)cc1
InChIInChI=1S/C21H20N4O3/c1-23-17-13-25(12-15-6-4-5-11-22-15)19(14-7-9-16(28-3)10-8-14)18(17)20(26)24(2)21(23)27/h4-11,13H,12H2,1-3H3
InChIKeyIUVZVQJMTNCJFN-UHFFFAOYSA-N
XLogP2.16
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 664086) is 5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccccn2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is IUVZVQJMTNCJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-23-17-13-25(12-15-6-4-5-11-22-15)19(14-7-9-16(28-3)10-8-14)18(17)20(26)24(2)21(23)27/h4-11,13H,12H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 376.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 664086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).