methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide

C10H8N4S — CID 1478182

IUPACmethyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide
SMILESCN(C#N)c1nccc(-c2cccs2)n1
InChIInChI=1S/C10H8N4S/c1-14(7-11)10-12-5-4-8(13-10)9-3-2-6-15-9/h2-6H,1H3
InChIKeyPYQVDTVMCOHWDL-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.12
Rot. Bonds2

About methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide

methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide (PubChem CID 1478182) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide.

Molecular Properties

Compound Namemethyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide
PubChem CID1478182
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Namemethyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide
SMILESCN(C#N)c1nccc(-c2cccs2)n1
InChIInChI=1S/C10H8N4S/c1-14(7-11)10-12-5-4-8(13-10)9-3-2-6-15-9/h2-6H,1H3
InChIKeyPYQVDTVMCOHWDL-UHFFFAOYSA-N
XLogP2.12
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide?
The IUPAC name of methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide (CID 1478182) is methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide.
What is the SMILES notation for methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide?
The canonical SMILES for methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide is CN(C#N)c1nccc(-c2cccs2)n1.
What is the InChIKey of methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide?
The InChIKey is PYQVDTVMCOHWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c1-14(7-11)10-12-5-4-8(13-10)9-3-2-6-15-9/h2-6H,1H3.
What are the key properties of methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide?
methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide has a molecular weight of 216.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-thiophen-2-ylpyrimidin-2-yl)cyanamide is sourced from PubChem (CID 1478182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).