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

C21H19N3O3 — CID 653759

IUPAC6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2O)cc1
InChIInChI=1S/C21H19N3O3/c1-13-8-10-14(11-9-13)19-18-16(22(2)21(27)23(3)20(18)26)12-24(19)15-6-4-5-7-17(15)25/h4-12,25H,1-3H3
InChIKeyZBJZBPBDMBRWPC-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.71
Rot. Bonds2

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

6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 653759) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID653759
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2O)cc1
InChIInChI=1S/C21H19N3O3/c1-13-8-10-14(11-9-13)19-18-16(22(2)21(27)23(3)20(18)26)12-24(19)15-6-4-5-7-17(15)25/h4-12,25H,1-3H3
InChIKeyZBJZBPBDMBRWPC-UHFFFAOYSA-N
XLogP2.71
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-Hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 2011795
6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 2913082
6-Benzyl-1,3-dimethyl-5-p-tolyl-1,6-dihydro-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 1992652
6-(5-Chloro-2-hydroxyphenyl)-5-(2-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-D]pyrimidine-2,4-dione
CID 16013301
6-(2-hydroxyphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664457
5-(4-Methoxyphenyl)-1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 661066
6-(4-hydroxyphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 663404
6-[(4-Hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10336560
6-[(4-Hydroxy-3-iodophenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10389193
6-(2-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 16013272
6-(3-methoxyphenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 665352
6-(2-hydroxy-5-nitrophenyl)-1,3-dimethyl-5-phenyl-1Hpyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 46904977

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 653759) is 6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2O)cc1.
What is the InChIKey of 6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is ZBJZBPBDMBRWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-8-10-14(11-9-13)19-18-16(22(2)21(27)23(3)20(18)26)12-24(19)15-6-4-5-7-17(15)25/h4-12,25H,1-3H3.
What are the key properties of 6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 653759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).