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

C8H9N3O — CID 82415173

IUPAC2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde
SMILESO=CCN1Cc2cncnc2C1
InChIInChI=1S/C8H9N3O/c12-2-1-11-4-7-3-9-6-10-8(7)5-11/h2-3,6H,1,4-5H2
InChIKeyDIDJAXPUMOOLJI-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.01
Rot. Bonds2

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

2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde (PubChem CID 82415173) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde
PubChem CID82415173
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde
SMILESO=CCN1Cc2cncnc2C1
InChIInChI=1S/C8H9N3O/c12-2-1-11-4-7-3-9-6-10-8(7)5-11/h2-3,6H,1,4-5H2
InChIKeyDIDJAXPUMOOLJI-UHFFFAOYSA-N
XLogP-0.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-acetyl-2-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745332
2-ethyl-6-(methoxyacetyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750850
1-(2-oxo-2-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethyl)pyrrolidine-2,5-dione
CID 71805766
2,2-dimethyl-1-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propan-1-one
CID 71805746
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride
CID 54758847
N,N-dimethyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 67543338
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 10910771
6,7-dihydro-5H-pyrrolo(3,4-d)pyrimidine
CID 10954423
2-(2,2-Difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 59487097
2-(2,2,2-Trifluoro-ethoxy)-6,7-dihydro-5H-pyrrolo[3,4-D]pyrimidine
CID 59487099
6-Propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 59487100
2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 59487102

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde?
The IUPAC name of 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde (CID 82415173) is 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde.
What is the SMILES notation for 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde?
The canonical SMILES for 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde is O=CCN1Cc2cncnc2C1.
What is the InChIKey of 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde?
The InChIKey is DIDJAXPUMOOLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c12-2-1-11-4-7-3-9-6-10-8(7)5-11/h2-3,6H,1,4-5H2.
What are the key properties of 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde?
2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde has a molecular weight of 163.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde is sourced from PubChem (CID 82415173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).