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

C13H11N3O2 — CID 10421804

IUPAC3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O
InChIInChI=1S/C13H11N3O2/c1-16-12(17)11-10(15-13(16)18)7-9(14-11)8-5-3-2-4-6-8/h2-7,14H,1H3,(H,15,18)
InChIKeyOCIVKCYXPVPVPT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.22
Rot. Bonds1

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

3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 10421804) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID10421804
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O
InChIInChI=1S/C13H11N3O2/c1-16-12(17)11-10(15-13(16)18)7-9(14-11)8-5-3-2-4-6-8/h2-7,14H,1H3,(H,15,18)
InChIKeyOCIVKCYXPVPVPT-UHFFFAOYSA-N
XLogP1.22
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 10421804) is 3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O.
What is the InChIKey of 3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is OCIVKCYXPVPVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-16-12(17)11-10(15-13(16)18)7-9(14-11)8-5-3-2-4-6-8/h2-7,14H,1H3,(H,15,18).
What are the key properties of 3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 241.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10421804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).