6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol

C13H17NOSe — CID 15518770

IUPAC6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol
SMILESCc1ccc(C2=NC(O)CC(C)(C)[Se]2)cc1
InChIInChI=1S/C13H17NOSe/c1-9-4-6-10(7-5-9)12-14-11(15)8-13(2,3)16-12/h4-7,11,15H,8H2,1-3H3
InChIKeyMSZHRSFYVZNKNV-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.37
Rot. Bonds1

About 6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol

6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol (PubChem CID 15518770) has the molecular formula C13H17NOSe and a molecular weight of 282.25 g/mol. Its IUPAC name is 6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol.

Molecular Properties

Compound Name6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol
PubChem CID15518770
Molecular FormulaC13H17NOSe
Molecular Weight282.25 g/mol
Exact Mass283.05
IUPAC Name6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol
SMILESCc1ccc(C2=NC(O)CC(C)(C)[Se]2)cc1
InChIInChI=1S/C13H17NOSe/c1-9-4-6-10(7-5-9)12-14-11(15)8-13(2,3)16-12/h4-7,11,15H,8H2,1-3H3
InChIKeyMSZHRSFYVZNKNV-UHFFFAOYSA-N
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-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

Related Compounds

6-isopropyl-4-methyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 9926685
4-Ethyl-2-(4-methylphenyl)-6-propan-2-yl-5,6-dihydro-1,3-selenazin-4-ol
CID 145951015
4-ethyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 9903869
3-(Benzylideneamino)propan-1-ol
CID 232154
2-[(4-Propan-2-ylphenyl)methylideneamino]ethanol
CID 2189858
2,6-ditert-butyl-4-phenyl-6H-1,3,5-oxaselenazine
CID 14595834
4-Methyl-2-(4-methylphenyl)-5,6-dihydro-1,3-selenazin-4-ol
CID 9903475
(S)-2-(Benzylideneamino)-3-methylbutan-1-ol
CID 10726389
Benzylideneamino-1-hydroxylethane
CID 66697160
Benzylideneaminopropanol
CID 67428659
(1S)-1-[(3-fluorophenyl)methylideneamino]-3-methylbutan-1-ol
CID 69397670
4-Methyl-2-(4-methylphenyl)-6-propyl-5,6-dihydro-1,3-selenazin-4-ol
CID 9904759

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol?
The IUPAC name of 6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol (CID 15518770) is 6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol.
What is the SMILES notation for 6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol?
The canonical SMILES for 6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol is Cc1ccc(C2=NC(O)CC(C)(C)[Se]2)cc1.
What is the InChIKey of 6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol?
The InChIKey is MSZHRSFYVZNKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOSe/c1-9-4-6-10(7-5-9)12-14-11(15)8-13(2,3)16-12/h4-7,11,15H,8H2,1-3H3.
What are the key properties of 6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol?
6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol has a molecular weight of 282.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol is sourced from PubChem (CID 15518770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).