(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine

C18H17ClF3N3O — CID 71014670

IUPAC(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine
SMILESCC1(C)N=C(N)O[C@](C)(c2cc(-c3cncc(Cl)c3)ccc2F)C1(F)F
InChIInChI=1S/C18H17ClF3N3O/c1-16(2)18(21,22)17(3,26-15(23)25-16)13-7-10(4-5-14(13)20)11-6-12(19)9-24-8-11/h4-9H,1-3H3,(H2,23,25)/t17-/m1/s1
InChIKeyAYCZDDIJCZCRII-QGZVFWFLSA-N
MW383.80 g/mol
LogP4.52
Rot. Bonds2

About (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine

(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine (PubChem CID 71014670) has the molecular formula C18H17ClF3N3O and a molecular weight of 383.80 g/mol. Its IUPAC name is (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine
PubChem CID71014670
Molecular FormulaC18H17ClF3N3O
Molecular Weight383.80 g/mol
Exact Mass383.10
IUPAC Name(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine
SMILESCC1(C)N=C(N)O[C@](C)(c2cc(-c3cncc(Cl)c3)ccc2F)C1(F)F
InChIInChI=1S/C18H17ClF3N3O/c1-16(2)18(21,22)17(3,26-15(23)25-16)13-7-10(4-5-14(13)20)11-6-12(19)9-24-8-11/h4-9H,1-3H3,(H2,23,25)/t17-/m1/s1
InChIKeyAYCZDDIJCZCRII-QGZVFWFLSA-N
XLogP4.52
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

US10947223, Example 103
CID 135124663
4-[3-(5-chloropyridin-3-yl)phenyl]-4-[4-(difluoromethoxy)-3-fluorophenyl]-5H-1,3-oxazol-2-amine
CID 44192352
4-[3-(5-chloropyridin-3-yl)-4-fluorophenyl]-4-[4-(difluoromethoxy)-3-methylphenyl]-5H-1,3-oxazol-2-amine
CID 44192628
5-[5-(5-Chloropyridin-3-yl)-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 60141769
(5R)-5-[5-(5-chloropyridin-3-yl)-2-fluorophenyl]-6,6-difluoro-5,7,7-trimethyl-2H-1,4-oxazepin-3-amine
CID 66558613
(5R)-5-[5-(5-chloropyridin-3-yl)-2,4-difluorophenyl]-6,6-difluoro-5,7,7-trimethyl-2H-1,4-oxazepin-3-amine
CID 66558783
(4S)-4-[3-(5-chloro-3-pyridinyl)-4-fluorophenyl]-4-[4-(difluoromethoxy)-3-methylphenyl]-5H-1,3-oxazol-2-amine
CID 67346339
(4S)-4-[3-(5-chloro-3-pyridinyl)phenyl]-4-[4-(difluoromethoxy)-3-fluorophenyl]-5H-1,3-oxazol-2-amine
CID 67347653
(5S)-5-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 68153329
6-[5-(5-Chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)morpholin-2-amine
CID 68297097
7a-[5-(5-Chloro-3-pyridinyl)-2-fluorophenyl]-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine
CID 68354113
5-[5-(5-chloro-3-pyridinyl)-2,4-difluorophenyl]-6,6-difluoro-5,7,7-trimethyl-2H-1,4-oxazepin-3-amine
CID 68380189

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine?
The IUPAC name of (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine (CID 71014670) is (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine.
What is the SMILES notation for (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine?
The canonical SMILES for (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine is CC1(C)N=C(N)O[C@](C)(c2cc(-c3cncc(Cl)c3)ccc2F)C1(F)F.
What is the InChIKey of (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine?
The InChIKey is AYCZDDIJCZCRII-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17ClF3N3O/c1-16(2)18(21,22)17(3,26-15(23)25-16)13-7-10(4-5-14(13)20)11-6-12(19)9-24-8-11/h4-9H,1-3H3,(H2,23,25)/t17-/m1/s1.
What are the key properties of (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine?
(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine has a molecular weight of 383.80 g/mol, XLogP of 4.52, 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-fluorophenyl]-5,5-difluoro-4,4,6-trimethyl-1,3-oxazin-2-amine is sourced from PubChem (CID 71014670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).