1-phenylpyrrolo[3,2-d]pyrimidine

C12H9N3 — CID 166509550

IUPAC1-phenylpyrrolo[3,2-d]pyrimidine
SMILESc1ccc(-n2cncc3nccc2-3)cc1
InChIInChI=1S/C12H9N3/c1-2-4-10(5-3-1)15-9-13-8-11-12(15)6-7-14-11/h1-9H
InChIKeyLWCZRIDOXIAZFQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.37
Rot. Bonds1

About 1-phenylpyrrolo[3,2-d]pyrimidine

1-phenylpyrrolo[3,2-d]pyrimidine (PubChem CID 166509550) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-phenylpyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name1-phenylpyrrolo[3,2-d]pyrimidine
PubChem CID166509550
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name1-phenylpyrrolo[3,2-d]pyrimidine
SMILESc1ccc(-n2cncc3nccc2-3)cc1
InChIInChI=1S/C12H9N3/c1-2-4-10(5-3-1)15-9-13-8-11-12(15)6-7-14-11/h1-9H
InChIKeyLWCZRIDOXIAZFQ-UHFFFAOYSA-N
XLogP2.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrrolo[3,2-d]pyrimidine?
The IUPAC name of 1-phenylpyrrolo[3,2-d]pyrimidine (CID 166509550) is 1-phenylpyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 1-phenylpyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 1-phenylpyrrolo[3,2-d]pyrimidine is c1ccc(-n2cncc3nccc2-3)cc1.
What is the InChIKey of 1-phenylpyrrolo[3,2-d]pyrimidine?
The InChIKey is LWCZRIDOXIAZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-4-10(5-3-1)15-9-13-8-11-12(15)6-7-14-11/h1-9H.
What are the key properties of 1-phenylpyrrolo[3,2-d]pyrimidine?
1-phenylpyrrolo[3,2-d]pyrimidine has a molecular weight of 195.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 166509550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).