2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde

C11H9N5O — CID 155598579

IUPAC2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde
SMILESCc1cc2nc(-n3ccnc3)nc(C=O)c2[nH]1
InChIInChI=1S/C11H9N5O/c1-7-4-8-10(13-7)9(5-17)15-11(14-8)16-3-2-12-6-16/h2-6,13H,1H3
InChIKeyCWBJXJLIRNUPMP-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.26
Rot. Bonds2

About 2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde

2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde (PubChem CID 155598579) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde
PubChem CID155598579
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde
SMILESCc1cc2nc(-n3ccnc3)nc(C=O)c2[nH]1
InChIInChI=1S/C11H9N5O/c1-7-4-8-10(13-7)9(5-17)15-11(14-8)16-3-2-12-6-16/h2-6,13H,1H3
InChIKeyCWBJXJLIRNUPMP-UHFFFAOYSA-N
XLogP1.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde?
The IUPAC name of 2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde (CID 155598579) is 2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde is Cc1cc2nc(-n3ccnc3)nc(C=O)c2[nH]1.
What is the InChIKey of 2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde?
The InChIKey is CWBJXJLIRNUPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-4-8-10(13-7)9(5-17)15-11(14-8)16-3-2-12-6-16/h2-6,13H,1H3.
What are the key properties of 2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde?
2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde has a molecular weight of 227.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde is sourced from PubChem (CID 155598579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).