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

C12H9N3 — CID 45483929

IUPAC4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(-c2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C12H9N3/c1-2-4-9(5-3-1)11-10-6-7-13-12(10)15-8-14-11/h1-8H,(H,13,14,15)
InChIKeyXWMVYDXYOLGHBU-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.62
Rot. Bonds1

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

4-phenyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 45483929) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-phenyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID45483929
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(-c2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C12H9N3/c1-2-4-9(5-3-1)11-10-6-7-13-12(10)15-8-14-11/h1-8H,(H,13,14,15)
InChIKeyXWMVYDXYOLGHBU-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-phenyl-7H-pyrrolo[2,3-d]pyrimidine (CID 45483929) is 4-phenyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-phenyl-7H-pyrrolo[2,3-d]pyrimidine is c1ccc(-c2ncnc3[nH]ccc23)cc1.
What is the InChIKey of 4-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is XWMVYDXYOLGHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-4-9(5-3-1)11-10-6-7-13-12(10)15-8-14-11/h1-8H,(H,13,14,15).
What are the key properties of 4-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
4-phenyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 195.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 45483929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).