5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane

C10H16F2N2O — CID 169118529

IUPAC5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane
SMILESCC.CC(C)c1ncc(OC(F)F)cn1
InChIInChI=1S/C8H10F2N2O.C2H6/c1-5(2)7-11-3-6(4-12-7)13-8(9)10;1-2/h3-5,8H,1-2H3;1-2H3
InChIKeyQLBQPUFWKPJDAL-UHFFFAOYSA-N
MW218.25 g/mol
LogP3.23
Rot. Bonds3

About 5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane

5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane (PubChem CID 169118529) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane
PubChem CID169118529
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane
SMILESCC.CC(C)c1ncc(OC(F)F)cn1
InChIInChI=1S/C8H10F2N2O.C2H6/c1-5(2)7-11-3-6(4-12-7)13-8(9)10;1-2/h3-5,8H,1-2H3;1-2H3
InChIKeyQLBQPUFWKPJDAL-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane?
The IUPAC name of 5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane (CID 169118529) is 5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane.
What is the SMILES notation for 5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane?
The canonical SMILES for 5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane is CC.CC(C)c1ncc(OC(F)F)cn1.
What is the InChIKey of 5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane?
The InChIKey is QLBQPUFWKPJDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O.C2H6/c1-5(2)7-11-3-6(4-12-7)13-8(9)10;1-2/h3-5,8H,1-2H3;1-2H3.
What are the key properties of 5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane?
5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane has a molecular weight of 218.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane is sourced from PubChem (CID 169118529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).