6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione

C14H15N3O2 — CID 83855394

IUPAC6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCN1Cc2c([nH]c(=O)[nH]c2=O)C1(C)c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-14(9-6-4-3-5-7-9)11-10(8-17(14)2)12(18)16-13(19)15-11/h3-7H,8H2,1-2H3,(H2,15,16,18,19)
InChIKeyXTIDFOZLVIZSFH-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.77
Rot. Bonds1

About 6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione

6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 83855394) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID83855394
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCN1Cc2c([nH]c(=O)[nH]c2=O)C1(C)c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-14(9-6-4-3-5-7-9)11-10(8-17(14)2)12(18)16-13(19)15-11/h3-7H,8H2,1-2H3,(H2,15,16,18,19)
InChIKeyXTIDFOZLVIZSFH-UHFFFAOYSA-N
XLogP0.77
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione (CID 83855394) is 6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione is CN1Cc2c([nH]c(=O)[nH]c2=O)C1(C)c1ccccc1.
What is the InChIKey of 6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is XTIDFOZLVIZSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-14(9-6-4-3-5-7-9)11-10(8-17(14)2)12(18)16-13(19)15-11/h3-7H,8H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione?
6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 257.29 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-7-phenyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 83855394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).