(5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine

C15H14F3N5O — CID 71550091

IUPAC(5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine
SMILESNC1=N[C@@](c2cc(Nc3ncccn3)ccc2F)(C(F)F)COC1
InChIInChI=1S/C15H14F3N5O/c16-11-3-2-9(22-14-20-4-1-5-21-14)6-10(11)15(13(17)18)8-24-7-12(19)23-15/h1-6,13H,7-8H2,(H2,19,23)(H,20,21,22)/t15-/m0/s1
InChIKeyFBODVRNZZXUAQO-HNNXBMFYSA-N
MW337.31 g/mol
LogP2.21
Rot. Bonds4

About (5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine

(5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 71550091) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is (5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID71550091
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name(5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine
SMILESNC1=N[C@@](c2cc(Nc3ncccn3)ccc2F)(C(F)F)COC1
InChIInChI=1S/C15H14F3N5O/c16-11-3-2-9(22-14-20-4-1-5-21-14)6-10(11)15(13(17)18)8-24-7-12(19)23-15/h1-6,13H,7-8H2,(H2,19,23)(H,20,21,22)/t15-/m0/s1
InChIKeyFBODVRNZZXUAQO-HNNXBMFYSA-N
XLogP2.21
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine (CID 71550091) is (5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine is NC1=N[C@@](c2cc(Nc3ncccn3)ccc2F)(C(F)F)COC1.
What is the InChIKey of (5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is FBODVRNZZXUAQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c16-11-3-2-9(22-14-20-4-1-5-21-14)6-10(11)15(13(17)18)8-24-7-12(19)23-15/h1-6,13H,7-8H2,(H2,19,23)(H,20,21,22)/t15-/m0/s1.
What are the key properties of (5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine?
(5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 337.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 71550091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).