2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine

C12H19F2N3O — CID 82010167

IUPAC2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(OCC(F)F)c1C
InChIInChI=1S/C12H19F2N3O/c1-7-9(15-5)16-11(12(2,3)4)17-10(7)18-6-8(13)14/h8H,6H2,1-5H3,(H,15,16,17)
InChIKeyFBKLQOFVGZTZRC-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.77
Rot. Bonds4

About 2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine

2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine (PubChem CID 82010167) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine
PubChem CID82010167
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(OCC(F)F)c1C
InChIInChI=1S/C12H19F2N3O/c1-7-9(15-5)16-11(12(2,3)4)17-10(7)18-6-8(13)14/h8H,6H2,1-5H3,(H,15,16,17)
InChIKeyFBKLQOFVGZTZRC-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine (CID 82010167) is 2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(OCC(F)F)c1C.
What is the InChIKey of 2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is FBKLQOFVGZTZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-7-9(15-5)16-11(12(2,3)4)17-10(7)18-6-8(13)14/h8H,6H2,1-5H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine?
2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 259.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 82010167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).