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

C21H19N3O2 — CID 175665080

IUPAC1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2cc3c(c(=O)n(C)c(=O)n3C)n2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-9-11-15(12-10-14)17-13-18-19(20(25)23(3)21(26)22(18)2)24(17)16-7-5-4-6-8-16/h4-13H,1-3H3
InChIKeyPFJNDOFRHFKKCK-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.00
Rot. Bonds2

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

1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 175665080) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID175665080
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2cc3c(c(=O)n(C)c(=O)n3C)n2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-9-11-15(12-10-14)17-13-18-19(20(25)23(3)21(26)22(18)2)24(17)16-7-5-4-6-8-16/h4-13H,1-3H3
InChIKeyPFJNDOFRHFKKCK-UHFFFAOYSA-N
XLogP3.00
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 175665078
6-[4-(dimethylamino)phenyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 175665064
1,2-bis(4-methylphenyl)indole
CID 151814608
1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
CID 15555687
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
6-(3-hydroxyphenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CID 5301804
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one
CID 20768022
1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10358574
1,2,6-triphenylpyridin-4-one
CID 13088641
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione (CID 175665080) is 1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione is Cc1ccc(-c2cc3c(c(=O)n(C)c(=O)n3C)n2-c2ccccc2)cc1.
What is the InChIKey of 1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is PFJNDOFRHFKKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-9-11-15(12-10-14)17-13-18-19(20(25)23(3)21(26)22(18)2)24(17)16-7-5-4-6-8-16/h4-13H,1-3H3.
What are the key properties of 1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 175665080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).