2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile

C11H8N4 — CID 71732785

IUPAC2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile
SMILESN#CCc1cccc(-c2cncnc2)n1
InChIInChI=1S/C11H8N4/c12-5-4-10-2-1-3-11(15-10)9-6-13-8-14-7-9/h1-3,6-8H,4H2
InChIKeyDKGCKNYVVXUNHN-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.60
Rot. Bonds2

About 2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile

2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile (PubChem CID 71732785) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile
PubChem CID71732785
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile
SMILESN#CCc1cccc(-c2cncnc2)n1
InChIInChI=1S/C11H8N4/c12-5-4-10-2-1-3-11(15-10)9-6-13-8-14-7-9/h1-3,6-8H,4H2
InChIKeyDKGCKNYVVXUNHN-UHFFFAOYSA-N
XLogP1.60
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile 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 2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile (CID 71732785) is 2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile is N#CCc1cccc(-c2cncnc2)n1.
What is the InChIKey of 2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile?
The InChIKey is DKGCKNYVVXUNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c12-5-4-10-2-1-3-11(15-10)9-6-13-8-14-7-9/h1-3,6-8H,4H2.
What are the key properties of 2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile?
2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile has a molecular weight of 196.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 71732785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).