(6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

C10H8BrN5O4 — CID 68545247

IUPAC(6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ncc(Br)cn1)C2
InChIInChI=1S/C10H8BrN5O4/c11-6-1-12-9(13-2-6)20-7-3-15-4-8(16(17)18)14-10(15)19-5-7/h1-2,4,7H,3,5H2/t7-/m0/s1
InChIKeySRLADCNESVMUGP-ZETCQYMHSA-N
MW342.11 g/mol
LogP1.18
Rot. Bonds3

About (6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

(6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 68545247) has the molecular formula C10H8BrN5O4 and a molecular weight of 342.11 g/mol. Its IUPAC name is (6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID68545247
Molecular FormulaC10H8BrN5O4
Molecular Weight342.11 g/mol
Exact Mass340.98
IUPAC Name(6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ncc(Br)cn1)C2
InChIInChI=1S/C10H8BrN5O4/c11-6-1-12-9(13-2-6)20-7-3-15-4-8(16(17)18)14-10(15)19-5-7/h1-2,4,7H,3,5H2/t7-/m0/s1
InChIKeySRLADCNESVMUGP-ZETCQYMHSA-N
XLogP1.18
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.11
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of (6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 68545247) is (6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for (6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for (6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ncc(Br)cn1)C2.
What is the InChIKey of (6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is SRLADCNESVMUGP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H8BrN5O4/c11-6-1-12-9(13-2-6)20-7-3-15-4-8(16(17)18)14-10(15)19-5-7/h1-2,4,7H,3,5H2/t7-/m0/s1.
What are the key properties of (6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
(6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 342.11 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 68545247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).