5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

C24H23Cl2N3O4 — CID 4898949

IUPAC5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2cc3c(c2-c2ccc(Cl)cc2Cl)c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C24H23Cl2N3O4/c1-27-18-13-29(10-9-14-5-8-19(32-3)20(11-14)33-4)22(16-7-6-15(25)12-17(16)26)21(18)23(30)28(2)24(27)31/h5-8,11-13H,9-10H2,1-4H3
InChIKeyYDIFVTGJDAOZCK-UHFFFAOYSA-N
MW488.37 g/mol
LogP4.27
Rot. Bonds6

About 5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 4898949) has the molecular formula C24H23Cl2N3O4 and a molecular weight of 488.37 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID4898949
Molecular FormulaC24H23Cl2N3O4
Molecular Weight488.37 g/mol
Exact Mass487.11
IUPAC Name5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2cc3c(c2-c2ccc(Cl)cc2Cl)c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C24H23Cl2N3O4/c1-27-18-13-29(10-9-14-5-8-19(32-3)20(11-14)33-4)22(16-7-6-15(25)12-17(16)26)21(18)23(30)28(2)24(27)31/h5-8,11-13H,9-10H2,1-4H3
InChIKeyYDIFVTGJDAOZCK-UHFFFAOYSA-N
XLogP4.27
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 42581731
3-(2,4-dichlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrole-2,5-dione
CID 110581702
5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4898383
5-(2-chlorophenyl)-1,3-dimethyl-6-(3-morpholin-4-ylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 16766069
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 19603658
6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4896739
5-(5-chloro-2-hydroxybenzoyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxopyridine-3-carbonitrile
CID 2378028
(2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 34360039
5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 52898566
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16802545

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 4898949) is 5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is COc1ccc(CCn2cc3c(c2-c2ccc(Cl)cc2Cl)c(=O)n(C)c(=O)n3C)cc1OC.
What is the InChIKey of 5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is YDIFVTGJDAOZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O4/c1-27-18-13-29(10-9-14-5-8-19(32-3)20(11-14)33-4)22(16-7-6-15(25)12-17(16)26)21(18)23(30)28(2)24(27)31/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of 5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 488.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4898949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).