[(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid

C12H10F6N4O3 — CID 137377661

IUPAC[(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid
SMILESC[C@]1(c2nc(N)ccc2F)N=C(NC(=O)O)O[C@H](C(F)(F)F)C1(F)F
InChIInChI=1S/C12H10F6N4O3/c1-10(6-4(13)2-3-5(19)20-6)11(14,15)7(12(16,17)18)25-8(22-10)21-9(23)24/h2-3,7H,1H3,(H2,19,20)(H,21,22)(H,23,24)/t7-,10+/m0/s1
InChIKeyUDDKIEDFOPENAB-OIBJUYFYSA-N
MW372.23 g/mol
LogP2.24
Rot. Bonds1

About [(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid

[(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid (PubChem CID 137377661) has the molecular formula C12H10F6N4O3 and a molecular weight of 372.23 g/mol. Its IUPAC name is [(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid.

Molecular Properties

Compound Name[(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid
PubChem CID137377661
Molecular FormulaC12H10F6N4O3
Molecular Weight372.23 g/mol
Exact Mass372.07
IUPAC Name[(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid
SMILESC[C@]1(c2nc(N)ccc2F)N=C(NC(=O)O)O[C@H](C(F)(F)F)C1(F)F
InChIInChI=1S/C12H10F6N4O3/c1-10(6-4(13)2-3-5(19)20-6)11(14,15)7(12(16,17)18)25-8(22-10)21-9(23)24/h2-3,7H,1H3,(H2,19,20)(H,21,22)(H,23,24)/t7-,10+/m0/s1
InChIKeyUDDKIEDFOPENAB-OIBJUYFYSA-N
XLogP2.24
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R,6S)-4-(6-bromo-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamoyl benzoate
CID 137377660
6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile
CID 160698396
5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine
CID 157136722
[(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid
CID 118877170
[5-(6-amino-3-fluoro-2-pyridinyl)-5-methyl-1-methylimino-1-oxo-2-(2,2,2-trifluoroethyl)-6H-1,2,4-thiadiazin-3-yl] carbamate
CID 174999983
ditert-butyl 2-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-1,3-oxazine-6,6-dicarboxylate
CID 135124661
N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 118877195
N-[6-[(4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 86295797
N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 123728009
(6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid
CID 155209306
N-[3-[(4S,5R,6S)-2-amino-4,5-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 118440818
N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 90373176

Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid?
The IUPAC name of [(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid (CID 137377661) is [(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid.
What is the SMILES notation for [(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid?
The canonical SMILES for [(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid is C[C@]1(c2nc(N)ccc2F)N=C(NC(=O)O)O[C@H](C(F)(F)F)C1(F)F.
What is the InChIKey of [(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid?
The InChIKey is UDDKIEDFOPENAB-OIBJUYFYSA-N. The full InChI is InChI=1S/C12H10F6N4O3/c1-10(6-4(13)2-3-5(19)20-6)11(14,15)7(12(16,17)18)25-8(22-10)21-9(23)24/h2-3,7H,1H3,(H2,19,20)(H,21,22)(H,23,24)/t7-,10+/m0/s1.
What are the key properties of [(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid?
[(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid has a molecular weight of 372.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-2-yl]carbamic acid is sourced from PubChem (CID 137377661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).