5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one

C6H5N3O — CID 22392789

IUPAC5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESO=C1NCc2cncnc21
InChIInChI=1S/C6H5N3O/c10-6-5-4(2-8-6)1-7-3-9-5/h1,3H,2H2,(H,8,10)
InChIKeyGMPUYEXJACYTRP-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.28
Rot. Bonds

About 5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one

5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 22392789) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
PubChem CID22392789
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESO=C1NCc2cncnc21
InChIInChI=1S/C6H5N3O/c10-6-5-4(2-8-6)1-7-3-9-5/h1,3H,2H2,(H,8,10)
InChIKeyGMPUYEXJACYTRP-UHFFFAOYSA-N
XLogP-0.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (CID 22392789) is 5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is O=C1NCc2cncnc21.
What is the InChIKey of 5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is GMPUYEXJACYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-6-5-4(2-8-6)1-7-3-9-5/h1,3H,2H2,(H,8,10).
What are the key properties of 5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 135.13 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 22392789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).