(4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol

C12H15NOSe — CID 15518769

IUPAC(4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
SMILESCc1ccc(C2=N[C@H](O)[C@H](C)C[Se]2)cc1
InChIInChI=1S/C12H15NOSe/c1-8-3-5-10(6-4-8)12-13-11(14)9(2)7-15-12/h3-6,9,11,14H,7H2,1-2H3/t9-,11-/m1/s1
InChIKeyQEYZMZWTDHVJGQ-MWLCHTKSSA-N
MW268.22 g/mol
LogP1.83
Rot. Bonds1

About (4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol

(4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol (PubChem CID 15518769) has the molecular formula C12H15NOSe and a molecular weight of 268.22 g/mol. Its IUPAC name is (4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol.

Molecular Properties

Compound Name(4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
PubChem CID15518769
Molecular FormulaC12H15NOSe
Molecular Weight268.22 g/mol
Exact Mass269.03
IUPAC Name(4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
SMILESCc1ccc(C2=N[C@H](O)[C@H](C)C[Se]2)cc1
InChIInChI=1S/C12H15NOSe/c1-8-3-5-10(6-4-8)12-13-11(14)9(2)7-15-12/h3-6,9,11,14H,7H2,1-2H3/t9-,11-/m1/s1
InChIKeyQEYZMZWTDHVJGQ-MWLCHTKSSA-N
XLogP1.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol 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 (4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol?
The IUPAC name of (4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol (CID 15518769) is (4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol.
What is the SMILES notation for (4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol?
The canonical SMILES for (4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol is Cc1ccc(C2=N[C@H](O)[C@H](C)C[Se]2)cc1.
What is the InChIKey of (4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol?
The InChIKey is QEYZMZWTDHVJGQ-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H15NOSe/c1-8-3-5-10(6-4-8)12-13-11(14)9(2)7-15-12/h3-6,9,11,14H,7H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol?
(4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol has a molecular weight of 268.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol is sourced from PubChem (CID 15518769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).