5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine

C13H11N3O — CID 91243415

IUPAC5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine
SMILESCn1ccc2ncnc(Oc3ccccc3)c21
InChIInChI=1S/C13H11N3O/c1-16-8-7-11-12(16)13(15-9-14-11)17-10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyHZBZHEODFZRAMX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.76
Rot. Bonds2

About 5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine

5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine (PubChem CID 91243415) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine
PubChem CID91243415
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine
SMILESCn1ccc2ncnc(Oc3ccccc3)c21
InChIInChI=1S/C13H11N3O/c1-16-8-7-11-12(16)13(15-9-14-11)17-10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyHZBZHEODFZRAMX-UHFFFAOYSA-N
XLogP2.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine (CID 91243415) is 5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine is Cn1ccc2ncnc(Oc3ccccc3)c21.
What is the InChIKey of 5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine?
The InChIKey is HZBZHEODFZRAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-16-8-7-11-12(16)13(15-9-14-11)17-10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine?
5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine has a molecular weight of 225.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 91243415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).