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

C8H11N3O2 — CID 59370298

IUPAC4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCC1NC(=O)NC2=C1C(=O)N(C)C2
InChIInChI=1S/C8H11N3O2/c1-4-6-5(10-8(13)9-4)3-11(2)7(6)12/h4H,3H2,1-2H3,(H2,9,10,13)
InChIKeyQXOKXFRCEXQCFI-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.59
Rot. Bonds

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

4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 59370298) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID59370298
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCC1NC(=O)NC2=C1C(=O)N(C)C2
InChIInChI=1S/C8H11N3O2/c1-4-6-5(10-8(13)9-4)3-11(2)7(6)12/h4H,3H2,1-2H3,(H2,9,10,13)
InChIKeyQXOKXFRCEXQCFI-UHFFFAOYSA-N
XLogP-0.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione (CID 59370298) is 4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione is CC1NC(=O)NC2=C1C(=O)N(C)C2.
What is the InChIKey of 4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is QXOKXFRCEXQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-6-5(10-8(13)9-4)3-11(2)7(6)12/h4H,3H2,1-2H3,(H2,9,10,13).
What are the key properties of 4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 181.19 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 59370298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).