5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

C20H16ClN3O3 — CID 5297130

IUPAC5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(Cl)cc3)n(-c3ccccc3O)cc2n(C)c1=O
InChIInChI=1S/C20H16ClN3O3/c1-22-15-11-24(14-5-3-4-6-16(14)25)18(12-7-9-13(21)10-8-12)17(15)19(26)23(2)20(22)27/h3-11,25H,1-2H3
InChIKeyUMYBXQYJEJWLQP-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.05
Rot. Bonds2

About 5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 5297130) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID5297130
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(Cl)cc3)n(-c3ccccc3O)cc2n(C)c1=O
InChIInChI=1S/C20H16ClN3O3/c1-22-15-11-24(14-5-3-4-6-16(14)25)18(12-7-9-13(21)10-8-12)17(15)19(26)23(2)20(22)27/h3-11,25H,1-2H3
InChIKeyUMYBXQYJEJWLQP-UHFFFAOYSA-N
XLogP3.05
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 2913082
6-(2-Hydroxy-phenyl)-1,3-dimethyl-5-p-tolyl-1,6-dihydro-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 653759
6-(5-chloro-2-hydroxyphenyl)-5-(2-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 16013301
6-(5-Chloro-2-hydroxy-4-nitrophenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 51361338
6-(2-hydroxyphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664457
6-(4-hydroxyphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 663404
6-benzyl-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 1249969
5-(2-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 16013295
6-(2-hydroxy-5-nitrophenyl)-1,3-dimethyl-5-phenyl-1Hpyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 46904977
Ethyl 3-[1,3-dimethyl-2,4-dioxo-5-phenyl-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl]-4-hydroxybenzoate
CID 51361340
5-(4-tert-butylphenyl)-6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 20104865
5-(4-chlorophenyl)-1,3-dimethyl-6-(2-phenylethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 1252213

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 5297130) is 5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(-c3ccccc3O)cc2n(C)c1=O.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is UMYBXQYJEJWLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-22-15-11-24(14-5-3-4-6-16(14)25)18(12-7-9-13(21)10-8-12)17(15)19(26)23(2)20(22)27/h3-11,25H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 381.82 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 5297130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).