4-ethyl-5,6-difluoropyrimidine

C6H6F2N2 — CID 57023739

IUPAC4-ethyl-5,6-difluoropyrimidine
SMILESCCc1ncnc(F)c1F
InChIInChI=1S/C6H6F2N2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3
InChIKeySHWZMKWRONBHQB-UHFFFAOYSA-N
MW144.12 g/mol
LogP1.32
Rot. Bonds1

About 4-ethyl-5,6-difluoropyrimidine

4-ethyl-5,6-difluoropyrimidine (PubChem CID 57023739) has the molecular formula C6H6F2N2 and a molecular weight of 144.12 g/mol. Its IUPAC name is 4-ethyl-5,6-difluoropyrimidine.

Molecular Properties

Compound Name4-ethyl-5,6-difluoropyrimidine
PubChem CID57023739
Molecular FormulaC6H6F2N2
Molecular Weight144.12 g/mol
Exact Mass144.05
IUPAC Name4-ethyl-5,6-difluoropyrimidine
SMILESCCc1ncnc(F)c1F
InChIInChI=1S/C6H6F2N2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3
InChIKeySHWZMKWRONBHQB-UHFFFAOYSA-N
XLogP1.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,6-difluoropyrimidine?
The IUPAC name of 4-ethyl-5,6-difluoropyrimidine (CID 57023739) is 4-ethyl-5,6-difluoropyrimidine.
What is the SMILES notation for 4-ethyl-5,6-difluoropyrimidine?
The canonical SMILES for 4-ethyl-5,6-difluoropyrimidine is CCc1ncnc(F)c1F.
What is the InChIKey of 4-ethyl-5,6-difluoropyrimidine?
The InChIKey is SHWZMKWRONBHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3.
What are the key properties of 4-ethyl-5,6-difluoropyrimidine?
4-ethyl-5,6-difluoropyrimidine has a molecular weight of 144.12 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,6-difluoropyrimidine is sourced from PubChem (CID 57023739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).