4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine

C10H14F2N2O — CID 58088188

IUPAC4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine
SMILESCC(C)(C)c1cc(OCC(F)F)ncn1
InChIInChI=1S/C10H14F2N2O/c1-10(2,3)7-4-9(14-6-13-7)15-5-8(11)12/h4,6,8H,5H2,1-3H3
InChIKeyZDTZDIOJJAQNEJ-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.42
Rot. Bonds3

About 4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine

4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine (PubChem CID 58088188) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine
PubChem CID58088188
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine
SMILESCC(C)(C)c1cc(OCC(F)F)ncn1
InChIInChI=1S/C10H14F2N2O/c1-10(2,3)7-4-9(14-6-13-7)15-5-8(11)12/h4,6,8H,5H2,1-3H3
InChIKeyZDTZDIOJJAQNEJ-UHFFFAOYSA-N
XLogP2.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine?
The IUPAC name of 4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine (CID 58088188) is 4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine is CC(C)(C)c1cc(OCC(F)F)ncn1.
What is the InChIKey of 4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine?
The InChIKey is ZDTZDIOJJAQNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-10(2,3)7-4-9(14-6-13-7)15-5-8(11)12/h4,6,8H,5H2,1-3H3.
What are the key properties of 4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine?
4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine has a molecular weight of 216.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(2,2-difluoroethoxy)pyrimidine is sourced from PubChem (CID 58088188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).