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

C11H9N3OS — CID 71805749

IUPAC5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1Cc2cncnc2C1
InChIInChI=1S/C11H9N3OS/c15-11(8-1-2-16-6-8)14-4-9-3-12-7-13-10(9)5-14/h1-3,6-7H,4-5H2
InChIKeyNBZRIAWTPJIZLJ-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.69
Rot. Bonds1

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

5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone (PubChem CID 71805749) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone
PubChem CID71805749
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1Cc2cncnc2C1
InChIInChI=1S/C11H9N3OS/c15-11(8-1-2-16-6-8)14-4-9-3-12-7-13-10(9)5-14/h1-3,6-7H,4-5H2
InChIKeyNBZRIAWTPJIZLJ-UHFFFAOYSA-N
XLogP1.69
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.69
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(thiophen-3-yl)methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone (CID 71805749) is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)N1Cc2cncnc2C1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone?
The InChIKey is NBZRIAWTPJIZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c15-11(8-1-2-16-6-8)14-4-9-3-12-7-13-10(9)5-14/h1-3,6-7H,4-5H2.
What are the key properties of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone?
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl(thiophen-3-yl)methanone has a molecular weight of 231.28 g/mol, XLogP of 1.69, 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(thiophen-3-yl)methanone is sourced from PubChem (CID 71805749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).