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

C20H16ClN3O3 — CID 16765711

IUPAC5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3Cl)n(-c3cccc(O)c3)cc2n(C)c1=O
InChIInChI=1S/C20H16ClN3O3/c1-22-16-11-24(12-6-5-7-13(25)10-12)18(14-8-3-4-9-15(14)21)17(16)19(26)23(2)20(22)27/h3-11,25H,1-2H3
InChIKeyVCVDVYZPVMOWSE-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.05
Rot. Bonds2

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

5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 16765711) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID16765711
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3Cl)n(-c3cccc(O)c3)cc2n(C)c1=O
InChIInChI=1S/C20H16ClN3O3/c1-22-16-11-24(12-6-5-7-13(25)10-12)18(14-8-3-4-9-15(14)21)17(16)19(26)23(2)20(22)27/h3-11,25H,1-2H3
InChIKeyVCVDVYZPVMOWSE-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 16765711) is 5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3Cl)n(-c3cccc(O)c3)cc2n(C)c1=O.
What is the InChIKey of 5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is VCVDVYZPVMOWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-22-16-11-24(12-6-5-7-13(25)10-12)18(14-8-3-4-9-15(14)21)17(16)19(26)23(2)20(22)27/h3-11,25H,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
5-(2-chlorophenyl)-6-(3-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-(2-chlorophenyl)-6-(3-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16765711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).