6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C21H19FN8O4 — CID 53475842

IUPAC6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2ccc(Nc3nc(Nc4ccc(N5CCOC5=O)nc4)ncc3F)nc2NC1=O
InChIInChI=1S/C21H19FN8O4/c1-21(2)18(31)28-17-13(34-21)4-5-14(27-17)26-16-12(22)10-24-19(29-16)25-11-3-6-15(23-9-11)30-7-8-33-20(30)32/h3-6,9-10H,7-8H2,1-2H3,(H3,24,25,26,27,28,29,31)
InChIKeyGFRNFHYHDKVXKS-UHFFFAOYSA-N
MW466.43 g/mol
LogP2.96
Rot. Bonds5

About 6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 53475842) has the molecular formula C21H19FN8O4 and a molecular weight of 466.43 g/mol. Its IUPAC name is 6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID53475842
Molecular FormulaC21H19FN8O4
Molecular Weight466.43 g/mol
Exact Mass466.15
IUPAC Name6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2ccc(Nc3nc(Nc4ccc(N5CCOC5=O)nc4)ncc3F)nc2NC1=O
InChIInChI=1S/C21H19FN8O4/c1-21(2)18(31)28-17-13(34-21)4-5-14(27-17)26-16-12(22)10-24-19(29-16)25-11-3-6-15(23-9-11)30-7-8-33-20(30)32/h3-6,9-10H,7-8H2,1-2H3,(H3,24,25,26,27,28,29,31)
InChIKeyGFRNFHYHDKVXKS-UHFFFAOYSA-N
XLogP2.96
TPSA143.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 53475842) is 6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC1(C)Oc2ccc(Nc3nc(Nc4ccc(N5CCOC5=O)nc4)ncc3F)nc2NC1=O.
What is the InChIKey of 6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is GFRNFHYHDKVXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN8O4/c1-21(2)18(31)28-17-13(34-21)4-5-14(27-17)26-16-12(22)10-24-19(29-16)25-11-3-6-15(23-9-11)30-7-8-33-20(30)32/h3-6,9-10H,7-8H2,1-2H3,(H3,24,25,26,27,28,29,31).
What are the key properties of 6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 466.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-fluoro-2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 53475842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).