6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C23H25FN8O4 — CID 58465182

About 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 58465182) has the molecular formula C23H25FN8O4 and a molecular weight of 496.50 g/mol. Its IUPAC name is 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 58465182
• Molecular Formula: C23H25FN8O4
• Molecular Weight: 496.50 g/mol
• Exact Mass: 496.20
• IUPAC Name: 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: CCOC[C@@H]1CN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)CO5)n3)cn2)CCO1
• InChI: InChI=1S/C23H25FN8O4/c1-2-34-12-15-11-32(7-8-35-15)19-6-3-14(9-25-19)27-23-26-10-16(24)21(31-23)28-18-5-4-17-22(29-18)30-20(33)13-36-17/h3-6,9-10,15H,2,7-8,11-13H2,1H3,(H3,26,27,28,29,30,31,33)/t15-/m0/s1
• InChIKey: WNIGHQXSWYLLQM-HNNXBMFYSA-N
• XLogP: 2.47
• TPSA: 135.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.50
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 58465182) is 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one is CCOC[C@@H]1CN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)CO5)n3)cn2)CCO1.

What is the InChIKey of 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is WNIGHQXSWYLLQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25FN8O4/c1-2-34-12-15-11-32(7-8-35-15)19-6-3-14(9-25-19)27-23-26-10-16(24)21(31-23)28-18-5-4-17-22(29-18)30-20(33)13-36-17/h3-6,9-10,15H,2,7-8,11-13H2,1H3,(H3,26,27,28,29,30,31,33)/t15-/m0/s1.

What are the key properties of 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 496.50 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[[6-[(2S)-2-(ethoxymethyl)morpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 58465182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).