5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine

C16H14F2N4O — CID 71059375

IUPAC5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine
SMILESNC1=NC2(CCc3ccc(-c4cncnc4)cc32)C(F)(F)CO1
InChIInChI=1S/C16H14F2N4O/c17-16(18)8-23-14(19)22-15(16)4-3-10-1-2-11(5-13(10)15)12-6-20-9-21-7-12/h1-2,5-7,9H,3-4,8H2,(H2,19,22)
InChIKeyUTSIXEOJMNNEAU-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.27
Rot. Bonds1

About 5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine

5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine (PubChem CID 71059375) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine.

Molecular Properties

Compound Name5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine
PubChem CID71059375
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine
SMILESNC1=NC2(CCc3ccc(-c4cncnc4)cc32)C(F)(F)CO1
InChIInChI=1S/C16H14F2N4O/c17-16(18)8-23-14(19)22-15(16)4-3-10-1-2-11(5-13(10)15)12-6-20-9-21-7-12/h1-2,5-7,9H,3-4,8H2,(H2,19,22)
InChIKeyUTSIXEOJMNNEAU-UHFFFAOYSA-N
XLogP2.27
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine?
The IUPAC name of 5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine (CID 71059375) is 5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine.
What is the SMILES notation for 5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine?
The canonical SMILES for 5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine is NC1=NC2(CCc3ccc(-c4cncnc4)cc32)C(F)(F)CO1.
What is the InChIKey of 5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine?
The InChIKey is UTSIXEOJMNNEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c17-16(18)8-23-14(19)22-15(16)4-3-10-1-2-11(5-13(10)15)12-6-20-9-21-7-12/h1-2,5-7,9H,3-4,8H2,(H2,19,22).
What are the key properties of 5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine?
5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine has a molecular weight of 316.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine is sourced from PubChem (CID 71059375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).