(6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione

C14H20N2O2S — CID 1201962

IUPAC(6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione
SMILESCN1C(=S)NC(C)(C)C[C@]1(C)c1ccc(O)cc1O
InChIInChI=1S/C14H20N2O2S/c1-13(2)8-14(3,16(4)12(19)15-13)10-6-5-9(17)7-11(10)18/h5-7,17-18H,8H2,1-4H3,(H,15,19)/t14-/m1/s1
InChIKeyFXTWMGAPFQYDAE-CQSZACIVSA-N
MW280.39 g/mol
LogP2.30
Rot. Bonds1

About (6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione

(6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione (PubChem CID 1201962) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name(6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione
PubChem CID1201962
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione
SMILESCN1C(=S)NC(C)(C)C[C@]1(C)c1ccc(O)cc1O
InChIInChI=1S/C14H20N2O2S/c1-13(2)8-14(3,16(4)12(19)15-13)10-6-5-9(17)7-11(10)18/h5-7,17-18H,8H2,1-4H3,(H,15,19)/t14-/m1/s1
InChIKeyFXTWMGAPFQYDAE-CQSZACIVSA-N
XLogP2.30
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
CID 7092649
(6R)-1-(4-bromo-3-methylphenyl)-6-(2,4-dihydroxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
CID 27269576
4-(2,4-dihydroxyphenyl)-4,6,6-trimethyl-1,3-diazinane-2-thione
CID 2837496
4-[(2S,4S)-2-chloro-4,6,6-trimethyl-2-methylsulfanyl-1,3-diazinan-4-yl]benzene-1,3-diol
CID 7261109
(6S)-1-(3-hydroxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
CID 702845
4-(7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol
CID 162010802
5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol
CID 168876491
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol
CID 21466615
1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol triiodide
CID 160502444
4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol
CID 123357468
4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol
CID 10683586

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione?
The IUPAC name of (6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione (CID 1201962) is (6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione.
What is the SMILES notation for (6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione?
The canonical SMILES for (6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione is CN1C(=S)NC(C)(C)C[C@]1(C)c1ccc(O)cc1O.
What is the InChIKey of (6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione?
The InChIKey is FXTWMGAPFQYDAE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-13(2)8-14(3,16(4)12(19)15-13)10-6-5-9(17)7-11(10)18/h5-7,17-18H,8H2,1-4H3,(H,15,19)/t14-/m1/s1.
What are the key properties of (6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione?
(6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione has a molecular weight of 280.39 g/mol, XLogP of 2.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione is sourced from PubChem (CID 1201962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).