1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile

C13H9N5 — CID 71580741

IUPAC1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2-c2ccnc(N)n2)c1
InChIInChI=1S/C13H9N5/c14-8-9-1-2-11-10(7-9)4-6-18(11)12-3-5-16-13(15)17-12/h1-7H,(H2,15,16,17)
InChIKeyFBOAGQYUFBMKEQ-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.87
Rot. Bonds1

About 1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile

1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile (PubChem CID 71580741) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile
PubChem CID71580741
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2-c2ccnc(N)n2)c1
InChIInChI=1S/C13H9N5/c14-8-9-1-2-11-10(7-9)4-6-18(11)12-3-5-16-13(15)17-12/h1-7H,(H2,15,16,17)
InChIKeyFBOAGQYUFBMKEQ-UHFFFAOYSA-N
XLogP1.87
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile 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 1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile (CID 71580741) is 1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile is N#Cc1ccc2c(ccn2-c2ccnc(N)n2)c1.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile?
The InChIKey is FBOAGQYUFBMKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-8-9-1-2-11-10(7-9)4-6-18(11)12-3-5-16-13(15)17-12/h1-7H,(H2,15,16,17).
What are the key properties of 1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile?
1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)indole-5-carbonitrile is sourced from PubChem (CID 71580741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).