2-ethynyl-4,6-dimethylpyrimidine

C8H8N2 — CID 13081754

IUPAC2-ethynyl-4,6-dimethylpyrimidine
SMILESC#Cc1nc(C)cc(C)n1
InChIInChI=1S/C8H8N2/c1-4-8-9-6(2)5-7(3)10-8/h1,5H,2-3H3
InChIKeyVGWRJXCDOHBOSC-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.07
Rot. Bonds

About 2-ethynyl-4,6-dimethylpyrimidine

2-ethynyl-4,6-dimethylpyrimidine (PubChem CID 13081754) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2-ethynyl-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-ethynyl-4,6-dimethylpyrimidine
PubChem CID13081754
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2-ethynyl-4,6-dimethylpyrimidine
SMILESC#Cc1nc(C)cc(C)n1
InChIInChI=1S/C8H8N2/c1-4-8-9-6(2)5-7(3)10-8/h1,5H,2-3H3
InChIKeyVGWRJXCDOHBOSC-UHFFFAOYSA-N
XLogP1.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,6-dimethyl pyrimidine
CID 13021
2-Chloro-4,6-dimethylpyrimidine
CID 20550
4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 600769
2,6-Dimethyl-4-aminopyrimidine
CID 68039
4,6-Dimethylpyrimidine
CID 15257
4,6-Dimethyl-2-(methylsulfanyl)pyrimidine
CID 12343174
2-(4,6-Dimethylpyrimidin-2-yl)acetamide
CID 659932
1-Cyano-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylthiourea
CID 847357
N,4,6-Trimethyl-2-pyrimidinamine
CID 12223747
2-Chloro-4-ethyl-6-methylpyrimidine
CID 593377
2-Fluoro-4,6-dimethylpyrimidine
CID 15738775
4-Methyl-pentan-2-one O-(4,6-dimethyl-pyrimidin-2-yl)-oxime
CID 5417820

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-4,6-dimethylpyrimidine?
The IUPAC name of 2-ethynyl-4,6-dimethylpyrimidine (CID 13081754) is 2-ethynyl-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-ethynyl-4,6-dimethylpyrimidine?
The canonical SMILES for 2-ethynyl-4,6-dimethylpyrimidine is C#Cc1nc(C)cc(C)n1.
What is the InChIKey of 2-ethynyl-4,6-dimethylpyrimidine?
The InChIKey is VGWRJXCDOHBOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-4-8-9-6(2)5-7(3)10-8/h1,5H,2-3H3.
What are the key properties of 2-ethynyl-4,6-dimethylpyrimidine?
2-ethynyl-4,6-dimethylpyrimidine has a molecular weight of 132.17 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-4,6-dimethylpyrimidine is sourced from PubChem (CID 13081754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).