4,5-diethynyl-2,6-dimethoxypyrimidine

C10H8N2O2 — CID 10750105

IUPAC4,5-diethynyl-2,6-dimethoxypyrimidine
SMILESC#Cc1nc(OC)nc(OC)c1C#C
InChIInChI=1S/C10H8N2O2/c1-5-7-8(6-2)11-10(14-4)12-9(7)13-3/h1-2H,3-4H3
InChIKeyAQJDDMXJEDESNX-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.46
Rot. Bonds2

About 4,5-diethynyl-2,6-dimethoxypyrimidine

4,5-diethynyl-2,6-dimethoxypyrimidine (PubChem CID 10750105) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4,5-diethynyl-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4,5-diethynyl-2,6-dimethoxypyrimidine
PubChem CID10750105
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4,5-diethynyl-2,6-dimethoxypyrimidine
SMILESC#Cc1nc(OC)nc(OC)c1C#C
InChIInChI=1S/C10H8N2O2/c1-5-7-8(6-2)11-10(14-4)12-9(7)13-3/h1-2H,3-4H3
InChIKeyAQJDDMXJEDESNX-UHFFFAOYSA-N
XLogP0.46
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethynyl-2,6-dimethoxypyrimidine?
The IUPAC name of 4,5-diethynyl-2,6-dimethoxypyrimidine (CID 10750105) is 4,5-diethynyl-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4,5-diethynyl-2,6-dimethoxypyrimidine?
The canonical SMILES for 4,5-diethynyl-2,6-dimethoxypyrimidine is C#Cc1nc(OC)nc(OC)c1C#C.
What is the InChIKey of 4,5-diethynyl-2,6-dimethoxypyrimidine?
The InChIKey is AQJDDMXJEDESNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-5-7-8(6-2)11-10(14-4)12-9(7)13-3/h1-2H,3-4H3.
What are the key properties of 4,5-diethynyl-2,6-dimethoxypyrimidine?
4,5-diethynyl-2,6-dimethoxypyrimidine has a molecular weight of 188.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethynyl-2,6-dimethoxypyrimidine is sourced from PubChem (CID 10750105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).