4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine

C8H10F2N2O — CID 126954432

IUPAC4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine
SMILESCc1ncnc(OCC(F)F)c1C
InChIInChI=1S/C8H10F2N2O/c1-5-6(2)11-4-12-8(5)13-3-7(9)10/h4,7H,3H2,1-2H3
InChIKeyDOACQABWEWGBJK-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.74
Rot. Bonds3

About 4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine

4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine (PubChem CID 126954432) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine
PubChem CID126954432
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine
SMILESCc1ncnc(OCC(F)F)c1C
InChIInChI=1S/C8H10F2N2O/c1-5-6(2)11-4-12-8(5)13-3-7(9)10/h4,7H,3H2,1-2H3
InChIKeyDOACQABWEWGBJK-UHFFFAOYSA-N
XLogP1.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine?
The IUPAC name of 4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine (CID 126954432) is 4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine is Cc1ncnc(OCC(F)F)c1C.
What is the InChIKey of 4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine?
The InChIKey is DOACQABWEWGBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5-6(2)11-4-12-8(5)13-3-7(9)10/h4,7H,3H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine?
4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine has a molecular weight of 188.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-5,6-dimethylpyrimidine is sourced from PubChem (CID 126954432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).