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

C13H11N3O — CID 11253095

IUPAC4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(COc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C13H11N3O/c1-2-4-10(5-3-1)8-17-13-11-6-7-14-12(11)15-9-16-13/h1-7,9H,8H2,(H,14,15,16)
InChIKeyRWMSPBNIJCPTHN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.54
Rot. Bonds3

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

4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 11253095) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID11253095
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(COc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C13H11N3O/c1-2-4-10(5-3-1)8-17-13-11-6-7-14-12(11)15-9-16-13/h1-7,9H,8H2,(H,14,15,16)
InChIKeyRWMSPBNIJCPTHN-UHFFFAOYSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine (CID 11253095) is 4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine is c1ccc(COc2ncnc3[nH]ccc23)cc1.
What is the InChIKey of 4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is RWMSPBNIJCPTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-4-10(5-3-1)8-17-13-11-6-7-14-12(11)15-9-16-13/h1-7,9H,8H2,(H,14,15,16).
What are the key properties of 4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine?
4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 225.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 11253095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).