4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C13H9N5 — CID 15331766

IUPAC4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)[nH]c2ncnc(N)c12
InChIInChI=1S/C13H9N5/c14-6-9-10-12(15)16-7-17-13(10)18-11(9)8-4-2-1-3-5-8/h1-5,7H,(H3,15,16,17,18)
InChIKeyRGISCTVUCLYPLQ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.08
Rot. Bonds1

About 4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 15331766) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID15331766
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)[nH]c2ncnc(N)c12
InChIInChI=1S/C13H9N5/c14-6-9-10-12(15)16-7-17-13(10)18-11(9)8-4-2-1-3-5-8/h1-5,7H,(H3,15,16,17,18)
InChIKeyRGISCTVUCLYPLQ-UHFFFAOYSA-N
XLogP2.08
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 15331766) is 4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)[nH]c2ncnc(N)c12.
What is the InChIKey of 4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is RGISCTVUCLYPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-6-9-10-12(15)16-7-17-13(10)18-11(9)8-4-2-1-3-5-8/h1-5,7H,(H3,15,16,17,18).
What are the key properties of 4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 15331766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).