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

C20H17N3O3 — CID 2913082

IUPAC6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3O)cc2n(C)c1=O
InChIInChI=1S/C20H17N3O3/c1-21-15-12-23(14-10-6-7-11-16(14)24)18(13-8-4-3-5-9-13)17(15)19(25)22(2)20(21)26/h3-12,24H,1-2H3
InChIKeyLFPHFKNYYHMJIF-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.40
Rot. Bonds2

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

6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 2913082) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID2913082
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3O)cc2n(C)c1=O
InChIInChI=1S/C20H17N3O3/c1-21-15-12-23(14-10-6-7-11-16(14)24)18(13-8-4-3-5-9-13)17(15)19(25)22(2)20(21)26/h3-12,24H,1-2H3
InChIKeyLFPHFKNYYHMJIF-UHFFFAOYSA-N
XLogP2.40
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.40
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-Hydroxy-phenyl)-1,3-dimethyl-5-p-tolyl-1,6-dihydro-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 653759
6-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 663983
5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664086
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-(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
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
1,3-Dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 753691
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

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 2913082) is 6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3O)cc2n(C)c1=O.
What is the InChIKey of 6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is LFPHFKNYYHMJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-21-15-12-23(14-10-6-7-11-16(14)24)18(13-8-4-3-5-9-13)17(15)19(25)22(2)20(21)26/h3-12,24H,1-2H3.
What are the key properties of 6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2-hydroxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 347.37 g/mol, XLogP of 2.40, 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-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2913082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).