7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde

C7H5N3O — CID 175194111

IUPAC7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde
SMILESO=Cc1ncc2c(n1)CN=C2
InChIInChI=1S/C7H5N3O/c11-4-7-9-2-5-1-8-3-6(5)10-7/h1-2,4H,3H2
InChIKeyGXIVFKASKWSSFI-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.22
Rot. Bonds1

About 7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde

7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde (PubChem CID 175194111) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde
PubChem CID175194111
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde
SMILESO=Cc1ncc2c(n1)CN=C2
InChIInChI=1S/C7H5N3O/c11-4-7-9-2-5-1-8-3-6(5)10-7/h1-2,4H,3H2
InChIKeyGXIVFKASKWSSFI-UHFFFAOYSA-N
XLogP0.22
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.22
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

4-Methylpyrimidine-2-carbaldehyde
CID 28950181
5-Methylpyrimidine-4-carbaldehyde
CID 28951081
5-(Propan-2-yl)pyrimidine-2-carbaldehyde
CID 83914044
5-Ethylpyrimidine-2-carbaldehyde
CID 84032549
4-(Difluoromethyl)pyrimidine-2-carbaldehyde
CID 84650696
2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine
CID 162552845
7H-Pyrrolo[3,4-d]pyrimidine
CID 45080553
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxamide
CID 57666164
7H-pyrrolo[3,4-d]pyrimidine;hydrochloride
CID 70382597
2,5-Dimethylpyrimidine-4-carbaldehyde
CID 82418627
1-(4,5-Dimethylpyrimidin-2-yl)ethan-1-one
CID 84032579
4,5-Dimethylpyrimidine-2-carboxamide
CID 89594101

Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde?
The IUPAC name of 7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde (CID 175194111) is 7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde?
The canonical SMILES for 7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde is O=Cc1ncc2c(n1)CN=C2.
What is the InChIKey of 7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde?
The InChIKey is GXIVFKASKWSSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-4-7-9-2-5-1-8-3-6(5)10-7/h1-2,4H,3H2.
What are the key properties of 7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde?
7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde has a molecular weight of 147.14 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[3,4-d]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 175194111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).