(6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine

C16H12ClF4N3O — CID 71014728

IUPAC(6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine
SMILESC[C@]1(c2cc(-c3cncc(Cl)c3)c(F)cc2F)OC(N)=NCC1(F)F
InChIInChI=1S/C16H12ClF4N3O/c1-15(16(20,21)7-24-14(22)25-15)11-3-10(12(18)4-13(11)19)8-2-9(17)6-23-5-8/h2-6H,7H2,1H3,(H2,22,24)/t15-/m1/s1
InChIKeyQJFMUGLNLYVKLW-OAHLLOKOSA-N
MW373.74 g/mol
LogP3.88
Rot. Bonds2

About (6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine

(6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine (PubChem CID 71014728) has the molecular formula C16H12ClF4N3O and a molecular weight of 373.74 g/mol. Its IUPAC name is (6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine
PubChem CID71014728
Molecular FormulaC16H12ClF4N3O
Molecular Weight373.74 g/mol
Exact Mass373.06
IUPAC Name(6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine
SMILESC[C@]1(c2cc(-c3cncc(Cl)c3)c(F)cc2F)OC(N)=NCC1(F)F
InChIInChI=1S/C16H12ClF4N3O/c1-15(16(20,21)7-24-14(22)25-15)11-3-10(12(18)4-13(11)19)8-2-9(17)6-23-5-8/h2-6H,7H2,1H3,(H2,22,24)/t15-/m1/s1
InChIKeyQJFMUGLNLYVKLW-OAHLLOKOSA-N
XLogP3.88
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.74
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine with MolForge

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Related Compounds

6-[5-(5-Chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)morpholin-2-amine
CID 68297097
(4R)-4-[5-(5-chloropyridin-3-yl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 71008450
4-[5-(5-Chloro-pyridin-3-yl)-2-fluoro-phenyl]-4-difluoromethyl-5,6-dihydro-4H-[1,3]oxazin-2-ylamine
CID 71008451
(4S)-4-[5-(5-chloropyridin-3-yl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 71008529
(4R)-4-[5-(5-chloropyridin-3-yl)-2-fluorophenyl]-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine;hydrochloride
CID 71008644
(4R)-4-[5-(5-chloropyridin-3-yl)-2-fluorophenyl]-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine
CID 71008645
4-[5-(5-Chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine;hydrochloride
CID 71008646
4-[5-(5-Chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine
CID 71008647
(R)-4-[5-(5-Chloro-pyridin-3-yl)-2,4-difluoro-phenyl]-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-2-ylamine
CID 71008875
4-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
CID 71008877
(6S)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine
CID 71014595
(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine
CID 71014670

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine?
The IUPAC name of (6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine (CID 71014728) is (6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine.
What is the SMILES notation for (6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine?
The canonical SMILES for (6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine is C[C@]1(c2cc(-c3cncc(Cl)c3)c(F)cc2F)OC(N)=NCC1(F)F.
What is the InChIKey of (6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine?
The InChIKey is QJFMUGLNLYVKLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12ClF4N3O/c1-15(16(20,21)7-24-14(22)25-15)11-3-10(12(18)4-13(11)19)8-2-9(17)6-23-5-8/h2-6H,7H2,1H3,(H2,22,24)/t15-/m1/s1.
What are the key properties of (6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine?
(6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine has a molecular weight of 373.74 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-amine is sourced from PubChem (CID 71014728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).