6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde

C14H13N3O — CID 83870771

IUPAC6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde
SMILESCN1Cc2nc(-c3ccccc3)nc(C=O)c2C1
InChIInChI=1S/C14H13N3O/c1-17-7-11-12(8-17)15-14(16-13(11)9-18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyBTZQASJAUJPOOL-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.90
Rot. Bonds2

About 6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde

6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde (PubChem CID 83870771) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde
PubChem CID83870771
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde
SMILESCN1Cc2nc(-c3ccccc3)nc(C=O)c2C1
InChIInChI=1S/C14H13N3O/c1-17-7-11-12(8-17)15-14(16-13(11)9-18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyBTZQASJAUJPOOL-UHFFFAOYSA-N
XLogP1.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde (CID 83870771) is 6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde is CN1Cc2nc(-c3ccccc3)nc(C=O)c2C1.
What is the InChIKey of 6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde?
The InChIKey is BTZQASJAUJPOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17-7-11-12(8-17)15-14(16-13(11)9-18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde?
6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde has a molecular weight of 239.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde is sourced from PubChem (CID 83870771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).