(4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol

C23H28N2O2S — CID 7116406

IUPAC(4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol
SMILESCSC1=N[C@@]2(C[C@@H](c3ccc(C)cc3)c3ccc(O)c(C)c3O2)CC(C)(C)N1
InChIInChI=1S/C23H28N2O2S/c1-14-6-8-16(9-7-14)18-12-23(13-22(3,4)24-21(25-23)28-5)27-20-15(2)19(26)11-10-17(18)20/h6-11,18,26H,12-13H2,1-5H3,(H,24,25)/t18-,23+/m0/s1
InChIKeyZCXFKROWUYZVOB-FDDCHVKYSA-N
MW396.56 g/mol
LogP5.11
Rot. Bonds1

About (4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol

(4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol (PubChem CID 7116406) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is (4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol.

Molecular Properties

Compound Name(4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol
PubChem CID7116406
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name(4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol
SMILESCSC1=N[C@@]2(C[C@@H](c3ccc(C)cc3)c3ccc(O)c(C)c3O2)CC(C)(C)N1
InChIInChI=1S/C23H28N2O2S/c1-14-6-8-16(9-7-14)18-12-23(13-22(3,4)24-21(25-23)28-5)27-20-15(2)19(26)11-10-17(18)20/h6-11,18,26H,12-13H2,1-5H3,(H,24,25)/t18-,23+/m0/s1
InChIKeyZCXFKROWUYZVOB-FDDCHVKYSA-N
XLogP5.11
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-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

(4R,4'R)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol
CID 7116407
6'-chloro-6,6-dimethyl-2-methylsulfanyl-4'-phenylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol
CID 3252751
7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
CID 3173235
1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
CID 144562671
[4,4,5'-trimethyl-4'-(4-methylphenyl)-2-oxospiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl] acetate
CID 4176277
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 130738460
[(4'R,6R)-8'-acetyloxy-4,4-dimethyl-4'-phenyl-2-sulfanylidenespiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl] acetate
CID 28838431
7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one
CID 15517821
2,2,6,6-tetramethylpiperidin-4-ol;1,4-xylene
CID 159783598
2,2-dimethyl-4-(4-methylphenyl)oxetane
CID 12731994
3-(3,4-dihydroxyphenyl)-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
CID 70966351
2,2,5-trimethyl-6-(4-methylphenyl)morpholine
CID 65102432

Frequently Asked Questions

What is the IUPAC name of (4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol?
The IUPAC name of (4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol (CID 7116406) is (4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol.
What is the SMILES notation for (4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol?
The canonical SMILES for (4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol is CSC1=N[C@@]2(C[C@@H](c3ccc(C)cc3)c3ccc(O)c(C)c3O2)CC(C)(C)N1.
What is the InChIKey of (4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol?
The InChIKey is ZCXFKROWUYZVOB-FDDCHVKYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-14-6-8-16(9-7-14)18-12-23(13-22(3,4)24-21(25-23)28-5)27-20-15(2)19(26)11-10-17(18)20/h6-11,18,26H,12-13H2,1-5H3,(H,24,25)/t18-,23+/m0/s1.
What are the key properties of (4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol?
(4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol has a molecular weight of 396.56 g/mol, XLogP of 5.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4'S)-6,6,8'-trimethyl-4'-(4-methylphenyl)-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol is sourced from PubChem (CID 7116406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).