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

C14H13N3O3 — CID 807088

IUPAC6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(-c3ccccc3O)cc2n(C)c1=O
InChIInChI=1S/C14H13N3O3/c1-15-11-8-17(10-5-3-4-6-12(10)18)7-9(11)13(19)16(2)14(15)20/h3-8,18H,1-2H3
InChIKeyNFADQTVASGAJHQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.73
Rot. Bonds1

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

6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 807088) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID807088
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(-c3ccccc3O)cc2n(C)c1=O
InChIInChI=1S/C14H13N3O3/c1-15-11-8-17(10-5-3-4-6-12(10)18)7-9(11)13(19)16(2)14(15)20/h3-8,18H,1-2H3
InChIKeyNFADQTVASGAJHQ-UHFFFAOYSA-N
XLogP0.73
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 807088) is 6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2cn(-c3ccccc3O)cc2n(C)c1=O.
What is the InChIKey of 6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is NFADQTVASGAJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-15-11-8-17(10-5-3-4-6-12(10)18)7-9(11)13(19)16(2)14(15)20/h3-8,18H,1-2H3.
What are the key properties of 6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 271.28 g/mol, XLogP of 0.73, 1 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-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 807088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).