6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C19H19N3O3 — CID 70713832

IUPAC6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1ccc2c(C)c(C(=O)N3Cc4nc(C)n(C)c(=O)c4C3)oc2c1
InChIInChI=1S/C19H19N3O3/c1-10-5-6-13-11(2)17(25-16(13)7-10)19(24)22-8-14-15(9-22)20-12(3)21(4)18(14)23/h5-7H,8-9H2,1-4H3
InChIKeyRJSBGAGPSMBGRY-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.61
Rot. Bonds1

About 6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 70713832) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID70713832
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1ccc2c(C)c(C(=O)N3Cc4nc(C)n(C)c(=O)c4C3)oc2c1
InChIInChI=1S/C19H19N3O3/c1-10-5-6-13-11(2)17(25-16(13)7-10)19(24)22-8-14-15(9-22)20-12(3)21(4)18(14)23/h5-7H,8-9H2,1-4H3
InChIKeyRJSBGAGPSMBGRY-UHFFFAOYSA-N
XLogP2.61
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 70713832) is 6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1ccc2c(C)c(C(=O)N3Cc4nc(C)n(C)c(=O)c4C3)oc2c1.
What is the InChIKey of 6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is RJSBGAGPSMBGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-10-5-6-13-11(2)17(25-16(13)7-10)19(24)22-8-14-15(9-22)20-12(3)21(4)18(14)23/h5-7H,8-9H2,1-4H3.
What are the key properties of 6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 337.38 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 70713832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).