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

C23H23N3O4 — CID 2006759

IUPAC6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(-n2cc3c(c2-c2ccc(C)cc2)c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C23H23N3O4/c1-14-6-8-15(9-7-14)21-20-18(24(2)23(28)25(3)22(20)27)13-26(21)17-12-16(29-4)10-11-19(17)30-5/h6-13H,1-5H3
InChIKeyKJYLZPXHKIWBID-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.02
Rot. Bonds4

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

6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 2006759) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID2006759
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(-n2cc3c(c2-c2ccc(C)cc2)c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C23H23N3O4/c1-14-6-8-15(9-7-14)21-20-18(24(2)23(28)25(3)22(20)27)13-26(21)17-12-16(29-4)10-11-19(17)30-5/h6-13H,1-5H3
InChIKeyKJYLZPXHKIWBID-UHFFFAOYSA-N
XLogP3.02
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 2006759) is 6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is COc1ccc(OC)c(-n2cc3c(c2-c2ccc(C)cc2)c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is KJYLZPXHKIWBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-14-6-8-15(9-7-14)21-20-18(24(2)23(28)25(3)22(20)27)13-26(21)17-12-16(29-4)10-11-19(17)30-5/h6-13H,1-5H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 405.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2006759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).