5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone

C13H13N3O2 — CID 71805753

IUPAC5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2Cc3cncnc3C2)c(C)o1
InChIInChI=1S/C13H13N3O2/c1-8-3-11(9(2)18-8)13(17)16-5-10-4-14-7-15-12(10)6-16/h3-4,7H,5-6H2,1-2H3
InChIKeyDWRXYALHUABJIB-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.84
Rot. Bonds1

About 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone

5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 71805753) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone
PubChem CID71805753
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2Cc3cncnc3C2)c(C)o1
InChIInChI=1S/C13H13N3O2/c1-8-3-11(9(2)18-8)13(17)16-5-10-4-14-7-15-12(10)6-16/h3-4,7H,5-6H2,1-2H3
InChIKeyDWRXYALHUABJIB-UHFFFAOYSA-N
XLogP1.84
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone (CID 71805753) is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2Cc3cncnc3C2)c(C)o1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is DWRXYALHUABJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-3-11(9(2)18-8)13(17)16-5-10-4-14-7-15-12(10)6-16/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone?
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 243.27 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 71805753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).