6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C23H23N3O2 — CID 2009447

IUPAC6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(C)cc2C)c1
InChIInChI=1S/C23H23N3O2/c1-14-7-6-8-17(12-14)21-20-19(24(4)23(28)25(5)22(20)27)13-26(21)18-10-9-15(2)11-16(18)3/h6-13H,1-5H3
InChIKeyRNAXFICMNGDSIX-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.62
Rot. Bonds2

About 6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 2009447) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID2009447
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(C)cc2C)c1
InChIInChI=1S/C23H23N3O2/c1-14-7-6-8-17(12-14)21-20-19(24(4)23(28)25(5)22(20)27)13-26(21)18-10-9-15(2)11-16(18)3/h6-13H,1-5H3
InChIKeyRNAXFICMNGDSIX-UHFFFAOYSA-N
XLogP3.62
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 2009447) is 6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(C)cc2C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is RNAXFICMNGDSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14-7-6-8-17(12-14)21-20-19(24(4)23(28)25(5)22(20)27)13-26(21)18-10-9-15(2)11-16(18)3/h6-13H,1-5H3.
What are the key properties of 6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 373.46 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2009447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).