2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine

C17H21F2N3O — CID 133439557

IUPAC2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine
SMILESCC1(C)CC(Nc2nc(C(F)F)nc3ccccc23)C(C)(C)O1
InChIInChI=1S/C17H21F2N3O/c1-16(2)9-12(17(3,4)23-16)21-14-10-7-5-6-8-11(10)20-15(22-14)13(18)19/h5-8,12-13H,9H2,1-4H3,(H,20,21,22)
InChIKeyIURPJEJGHYQYOX-UHFFFAOYSA-N
MW321.37 g/mol
LogP4.33
Rot. Bonds3

About 2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine

2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine (PubChem CID 133439557) has the molecular formula C17H21F2N3O and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine
PubChem CID133439557
Molecular FormulaC17H21F2N3O
Molecular Weight321.37 g/mol
Exact Mass321.17
IUPAC Name2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine
SMILESCC1(C)CC(Nc2nc(C(F)F)nc3ccccc23)C(C)(C)O1
InChIInChI=1S/C17H21F2N3O/c1-16(2)9-12(17(3,4)23-16)21-14-10-7-5-6-8-11(10)20-15(22-14)13(18)19/h5-8,12-13H,9H2,1-4H3,(H,20,21,22)
InChIKeyIURPJEJGHYQYOX-UHFFFAOYSA-N
XLogP4.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine (CID 133439557) is 2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine is CC1(C)CC(Nc2nc(C(F)F)nc3ccccc23)C(C)(C)O1.
What is the InChIKey of 2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine?
The InChIKey is IURPJEJGHYQYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O/c1-16(2)9-12(17(3,4)23-16)21-14-10-7-5-6-8-11(10)20-15(22-14)13(18)19/h5-8,12-13H,9H2,1-4H3,(H,20,21,22).
What are the key properties of 2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine?
2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine has a molecular weight of 321.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine is sourced from PubChem (CID 133439557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).