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

C22H21N3O3 — CID 175665078

IUPAC5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(-c3ccc(C)cc3)cc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C22H21N3O3/c1-14-5-7-15(8-6-14)18-13-19-20(21(26)24(3)22(27)23(19)2)25(18)16-9-11-17(28-4)12-10-16/h5-13H,1-4H3
InChIKeyJCNGNTBPBGWRDC-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.01
Rot. Bonds3

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

5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 175665078) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID175665078
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(-c3ccc(C)cc3)cc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C22H21N3O3/c1-14-5-7-15(8-6-14)18-13-19-20(21(26)24(3)22(27)23(19)2)25(18)16-9-11-17(28-4)12-10-16/h5-13H,1-4H3
InChIKeyJCNGNTBPBGWRDC-UHFFFAOYSA-N
XLogP3.01
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 175665080
6-[4-(dimethylamino)phenyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 175665064
7-(3-methoxyphenyl)-2,4-dimethyl-6-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CID 1043797
6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione
CID 4987572
7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CID 1202724
7-(4-fluorophenyl)-6-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 1045154
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
4-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzenesulfonamide
CID 16763287
9-(4-methoxyphenyl)-2,7-dimethylcarbazole
CID 129212267
[4-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42792027
6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4896739
6-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 5033350

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 175665078) is 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione is COc1ccc(-n2c(-c3ccc(C)cc3)cc3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is JCNGNTBPBGWRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-5-7-15(8-6-14)18-13-19-20(21(26)24(3)22(27)23(19)2)25(18)16-9-11-17(28-4)12-10-16/h5-13H,1-4H3.
What are the key properties of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 375.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 175665078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).