2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile

C10H8N4S — CID 116975584

IUPAC2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile
SMILESN#CCNc1ncc(-c2cccs2)cn1
InChIInChI=1S/C10H8N4S/c11-3-4-12-10-13-6-8(7-14-10)9-2-1-5-15-9/h1-2,5-7H,4H2,(H,12,13,14)
InChIKeyVONZXOKTHKHBFN-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.14
Rot. Bonds3

About 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile

2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile (PubChem CID 116975584) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile
PubChem CID116975584
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile
SMILESN#CCNc1ncc(-c2cccs2)cn1
InChIInChI=1S/C10H8N4S/c11-3-4-12-10-13-6-8(7-14-10)9-2-1-5-15-9/h1-2,5-7H,4H2,(H,12,13,14)
InChIKeyVONZXOKTHKHBFN-UHFFFAOYSA-N
XLogP2.14
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]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-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile?
The IUPAC name of 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile (CID 116975584) is 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile.
What is the SMILES notation for 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile?
The canonical SMILES for 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile is N#CCNc1ncc(-c2cccs2)cn1.
What is the InChIKey of 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile?
The InChIKey is VONZXOKTHKHBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-3-4-12-10-13-6-8(7-14-10)9-2-1-5-15-9/h1-2,5-7H,4H2,(H,12,13,14).
What are the key properties of 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile?
2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile has a molecular weight of 216.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile is sourced from PubChem (CID 116975584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).