6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

C18H19F3N4O2 — CID 78116834

IUPAC6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESCOc1cccnc1Nc1ccc(F)c(C2(C)N=C(N)COC2C(F)F)c1
InChIInChI=1S/C18H19F3N4O2/c1-18(15(16(20)21)27-9-14(22)25-18)11-8-10(5-6-12(11)19)24-17-13(26-2)4-3-7-23-17/h3-8,15-16H,9H2,1-2H3,(H2,22,25)(H,23,24)
InChIKeyHKEGXIOSDFGIJQ-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.21
Rot. Bonds5

About 6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 78116834) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID78116834
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESCOc1cccnc1Nc1ccc(F)c(C2(C)N=C(N)COC2C(F)F)c1
InChIInChI=1S/C18H19F3N4O2/c1-18(15(16(20)21)27-9-14(22)25-18)11-8-10(5-6-12(11)19)24-17-13(26-2)4-3-7-23-17/h3-8,15-16H,9H2,1-2H3,(H2,22,25)(H,23,24)
InChIKeyHKEGXIOSDFGIJQ-UHFFFAOYSA-N
XLogP3.21
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine
CID 71585988
(5R,6R)-5-[2-fluoro-5-[(3-methoxypyrazin-2-yl)amino]phenyl]-5-methyl-6-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 71586085
(3R,6R)-3-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine
CID 71550223
4-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-4-methyl-9-oxa-1-thia-3-azaspiro[5.5]undec-2-en-2-amine
CID 78166632
(4S,6S)-4-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 90373428
(5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-5-nitro-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine
CID 71550224
(1S,5S,6S)-5-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 90391030
(5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2-methyl-2,5-dihydro-1,4-oxazin-3-amine
CID 121267456
(5R,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 122196031
N-[3-[(2S,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 122387737
5-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-5-methyl-2-oxa-4-azabicyclo[4.2.0]oct-3-en-7-yn-3-amine
CID 123927790
(5R)-6,6-difluoro-5-[2-fluoro-5-(pyridin-3-ylamino)phenyl]-5,7,7-trimethyl-2H-1,4-oxazepin-3-amine
CID 66547827

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of 6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (CID 78116834) is 6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for 6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for 6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is COc1cccnc1Nc1ccc(F)c(C2(C)N=C(N)COC2C(F)F)c1.
What is the InChIKey of 6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is HKEGXIOSDFGIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-18(15(16(20)21)27-9-14(22)25-18)11-8-10(5-6-12(11)19)24-17-13(26-2)4-3-7-23-17/h3-8,15-16H,9H2,1-2H3,(H2,22,25)(H,23,24).
What are the key properties of 6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 380.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 78116834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).