3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C18H25N7O — CID 126893920

About 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 126893920) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

• Compound Name: 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
• PubChem CID: 126893920
• Molecular Formula: C18H25N7O
• Molecular Weight: 355.45 g/mol
• Exact Mass: 355.21
• IUPAC Name: 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
• SMILES: c1cnc(N2CCN(C3CN(Cc4cnc5n4CCOC5)C3)CC2)nc1
• InChI: InChI=1S/C18H25N7O/c1-2-19-18(20-3-1)24-6-4-23(5-7-24)16-12-22(13-16)11-15-10-21-17-14-26-9-8-25(15)17/h1-3,10,16H,4-9,11-14H2
• InChIKey: MZUDSAUEQDNPAW-UHFFFAOYSA-N
• XLogP: 0.21
• TPSA: 62.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.45
LogP ≤ 5	0.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?

The IUPAC name of 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 126893920) is 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

What is the SMILES notation for 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?

The canonical SMILES for 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is c1cnc(N2CCN(C3CN(Cc4cnc5n4CCOC5)C3)CC2)nc1.

What is the InChIKey of 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?

The InChIKey is MZUDSAUEQDNPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-2-19-18(20-3-1)24-6-4-23(5-7-24)16-12-22(13-16)11-15-10-21-17-14-26-9-8-25(15)17/h1-3,10,16H,4-9,11-14H2.

What are the key properties of 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?

3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 355.45 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 126893920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).