2-tert-butyl-5-(difluoromethoxy)pyrimidine

C9H12F2N2O — CID 58088060

IUPAC2-tert-butyl-5-(difluoromethoxy)pyrimidine
SMILESCC(C)(C)c1ncc(OC(F)F)cn1
InChIInChI=1S/C9H12F2N2O/c1-9(2,3)7-12-4-6(5-13-7)14-8(10)11/h4-5,8H,1-3H3
InChIKeyGTDOLTZZFKLYJS-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.38
Rot. Bonds2

About 2-tert-butyl-5-(difluoromethoxy)pyrimidine

2-tert-butyl-5-(difluoromethoxy)pyrimidine (PubChem CID 58088060) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 2-tert-butyl-5-(difluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-(difluoromethoxy)pyrimidine
PubChem CID58088060
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name2-tert-butyl-5-(difluoromethoxy)pyrimidine
SMILESCC(C)(C)c1ncc(OC(F)F)cn1
InChIInChI=1S/C9H12F2N2O/c1-9(2,3)7-12-4-6(5-13-7)14-8(10)11/h4-5,8H,1-3H3
InChIKeyGTDOLTZZFKLYJS-UHFFFAOYSA-N
XLogP2.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(difluoromethoxy)pyrimidine?
The IUPAC name of 2-tert-butyl-5-(difluoromethoxy)pyrimidine (CID 58088060) is 2-tert-butyl-5-(difluoromethoxy)pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-(difluoromethoxy)pyrimidine?
The canonical SMILES for 2-tert-butyl-5-(difluoromethoxy)pyrimidine is CC(C)(C)c1ncc(OC(F)F)cn1.
What is the InChIKey of 2-tert-butyl-5-(difluoromethoxy)pyrimidine?
The InChIKey is GTDOLTZZFKLYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-9(2,3)7-12-4-6(5-13-7)14-8(10)11/h4-5,8H,1-3H3.
What are the key properties of 2-tert-butyl-5-(difluoromethoxy)pyrimidine?
2-tert-butyl-5-(difluoromethoxy)pyrimidine has a molecular weight of 202.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(difluoromethoxy)pyrimidine is sourced from PubChem (CID 58088060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).