4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol

C19H29NOSe — CID 134919507

IUPAC4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol
SMILESCCC1(O)CC(C(C)C)(C(C)C)[Se]C(c2ccc(C)cc2)=N1
InChIInChI=1S/C19H29NOSe/c1-7-18(21)12-19(13(2)3,14(4)5)22-17(20-18)16-10-8-15(6)9-11-16/h8-11,13-14,21H,7,12H2,1-6H3
InChIKeyYFYRZYGPLODZIC-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.42
Rot. Bonds4

About 4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol

4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol (PubChem CID 134919507) has the molecular formula C19H29NOSe and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol.

Molecular Properties

Compound Name4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol
PubChem CID134919507
Molecular FormulaC19H29NOSe
Molecular Weight366.41 g/mol
Exact Mass367.14
IUPAC Name4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol
SMILESCCC1(O)CC(C(C)C)(C(C)C)[Se]C(c2ccc(C)cc2)=N1
InChIInChI=1S/C19H29NOSe/c1-7-18(21)12-19(13(2)3,14(4)5)22-17(20-18)16-10-8-15(6)9-11-16/h8-11,13-14,21H,7,12H2,1-6H3
InChIKeyYFYRZYGPLODZIC-UHFFFAOYSA-N
XLogP4.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.42
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
4-Methyl-2-(4-methylphenyl)-5,6-dihydro-1,3-selenazin-4-ol
CID 9903475
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
4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol
CID 134919506
4-methyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol
CID 134919588
4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol
CID 134919738
4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol
CID 134919744
4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol
CID 134919764
4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol
CID 134919765

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol?
The IUPAC name of 4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol (CID 134919507) is 4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol.
What is the SMILES notation for 4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol?
The canonical SMILES for 4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol is CCC1(O)CC(C(C)C)(C(C)C)[Se]C(c2ccc(C)cc2)=N1.
What is the InChIKey of 4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol?
The InChIKey is YFYRZYGPLODZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NOSe/c1-7-18(21)12-19(13(2)3,14(4)5)22-17(20-18)16-10-8-15(6)9-11-16/h8-11,13-14,21H,7,12H2,1-6H3.
What are the key properties of 4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol?
4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol has a molecular weight of 366.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol is sourced from PubChem (CID 134919507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).