6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C22H23FN8O3 — CID 58465181

About 6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 58465181) has the molecular formula C22H23FN8O3 and a molecular weight of 466.48 g/mol. Its IUPAC name is 6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 58465181
• Molecular Formula: C22H23FN8O3
• Molecular Weight: 466.48 g/mol
• Exact Mass: 466.19
• IUPAC Name: 6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: CN(C[C@H]1CCCO1)c1ccc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)CO4)n2)cn1
• InChI: InChI=1S/C22H23FN8O3/c1-31(11-14-3-2-8-33-14)18-7-4-13(9-24-18)26-22-25-10-15(23)20(30-22)27-17-6-5-16-21(28-17)29-19(32)12-34-16/h4-7,9-10,14H,2-3,8,11-12H2,1H3,(H3,25,26,27,28,29,30,32)/t14-/m1/s1
• InChIKey: RUHFLPRXMRWIRJ-CQSZACIVSA-N
• XLogP: 2.84
• TPSA: 126.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.48
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 58465181) is 6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one is CN(C[C@H]1CCCO1)c1ccc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)CO4)n2)cn1.

What is the InChIKey of 6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is RUHFLPRXMRWIRJ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23FN8O3/c1-31(11-14-3-2-8-33-14)18-7-4-13(9-24-18)26-22-25-10-15(23)20(30-22)27-17-6-5-16-21(28-17)29-19(32)12-34-16/h4-7,9-10,14H,2-3,8,11-12H2,1H3,(H3,25,26,27,28,29,30,32)/t14-/m1/s1.

What are the key properties of 6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[[5-fluoro-2-[[6-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 466.48 g/mol, XLogP of 2.84, 7 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-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 58465181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).