(5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

C11H13F2N3O — CID 122196030

IUPAC(5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@]1(c2cc(N)ccc2F)N=C(N)CO[C@@H]1F
InChIInChI=1S/C11H13F2N3O/c1-11(10(13)17-5-9(15)16-11)7-4-6(14)2-3-8(7)12/h2-4,10H,5,14H2,1H3,(H2,15,16)/t10-,11+/m0/s1
InChIKeyXUCLIDDQVSTUHA-WDEREUQCSA-N
MW241.24 g/mol
LogP1.31
Rot. Bonds1

About (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

(5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 122196030) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID122196030
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@]1(c2cc(N)ccc2F)N=C(N)CO[C@@H]1F
InChIInChI=1S/C11H13F2N3O/c1-11(10(13)17-5-9(15)16-11)7-4-6(14)2-3-8(7)12/h2-4,10H,5,14H2,1H3,(H2,15,16)/t10-,11+/m0/s1
InChIKeyXUCLIDDQVSTUHA-WDEREUQCSA-N
XLogP1.31
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[2-fluoro-5-(2,2,2-trifluoroethylamino)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57519960
(5R)-5-[2-fluoro-5-(3-methylbutylamino)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57520044
(5R)-5-[5-(2,2-difluoroethylamino)-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57520048
(R)-5-(5-Butylamino-2-fluoro-phenyl)-5-methyl-5,6-dihydro-2H-[1,4]oxazin-3-ylamine
CID 57520129
(5R)-5-[5-(cyclopentylamino)-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57520131
(5R)-5-[5-(cyclobutylamino)-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57520133
(5R)-5-[5-(cyclopropylmethylamino)-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 68108170
5-Methyl-5-phenyl-2,6-dihydro-1,4-oxazin-3-amine
CID 115018218
(5R)-5-[2-fluoro-5-(3-methylbutan-2-ylamino)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57519958
(5R)-5-[2-fluoro-5-(3,3,3-trifluoropropylamino)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57520043
(5R,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine
CID 122196031
(2R,5R)-5-(2-Fluoro-5-nitrophenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine
CID 66665319

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (CID 122196030) is (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is C[C@]1(c2cc(N)ccc2F)N=C(N)CO[C@@H]1F.
What is the InChIKey of (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is XUCLIDDQVSTUHA-WDEREUQCSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-11(10(13)17-5-9(15)16-11)7-4-6(14)2-3-8(7)12/h2-4,10H,5,14H2,1H3,(H2,15,16)/t10-,11+/m0/s1.
What are the key properties of (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
(5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 241.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 122196030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).