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

C12H15NOSe — CID 15518767

IUPAC(4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
SMILESCc1ccc(C2=N[C@H](O)C[C@H](C)[Se]2)cc1
InChIInChI=1S/C12H15NOSe/c1-8-3-5-10(6-4-8)12-13-11(14)7-9(2)15-12/h3-6,9,11,14H,7H2,1-2H3/t9-,11+/m0/s1
InChIKeyFMRYZCWRFPIRFE-GXSJLCMTSA-N
MW268.22 g/mol
LogP1.98
Rot. Bonds1

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

(4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol (PubChem CID 15518767) has the molecular formula C12H15NOSe and a molecular weight of 268.22 g/mol. Its IUPAC name is (4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol.

Molecular Properties

Compound Name(4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
PubChem CID15518767
Molecular FormulaC12H15NOSe
Molecular Weight268.22 g/mol
Exact Mass269.03
IUPAC Name(4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
SMILESCc1ccc(C2=N[C@H](O)C[C@H](C)[Se]2)cc1
InChIInChI=1S/C12H15NOSe/c1-8-3-5-10(6-4-8)12-13-11(14)7-9(2)15-12/h3-6,9,11,14H,7H2,1-2H3/t9-,11+/m0/s1
InChIKeyFMRYZCWRFPIRFE-GXSJLCMTSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
2-[(Phenylmethylene)amino]ethanol
CID 97677
3-(Benzylideneamino)propan-1-ol
CID 232154
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
4,6,6-trimethyl-2-(4-methylphenyl)-5H-1,3-selenazin-4-ol
CID 9948115

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol?
The IUPAC name of (4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol (CID 15518767) is (4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol.
What is the SMILES notation for (4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol?
The canonical SMILES for (4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol is Cc1ccc(C2=N[C@H](O)C[C@H](C)[Se]2)cc1.
What is the InChIKey of (4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol?
The InChIKey is FMRYZCWRFPIRFE-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H15NOSe/c1-8-3-5-10(6-4-8)12-13-11(14)7-9(2)15-12/h3-6,9,11,14H,7H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of (4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol?
(4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol has a molecular weight of 268.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol is sourced from PubChem (CID 15518767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).