5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine

C58H79N7OS — CID 159054722

IUPAC5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine
SMILESC.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1nccn2ccnc12.CC(C)(C)Oc1ncnc2ccsc12.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2ncccc2c1
InChIInChI=1S/C13H15N.C13H18.C11H15N3.C10H12N2OS.C10H15N.CH4/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-11(2,3)8-9-10-13-5-7-14(10)6-4-12-9;1-10(2,3)13-9-8-7(4-5-14-8)11-6-12-9;1-10(2,3)8-9-6-4-5-7-11-9;/h4-9H,1-3H3;7-9H,4-6H2,1-3H3;4-7H,8H2,1-3H3;4-6H,1-3H3;4-7H,8H2,1-3H3;1H4
InChIKeyJXSDEMHUZCBFIC-UHFFFAOYSA-N
MW922.39 g/mol
LogP15.50
Rot. Bonds3

About 5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine

5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine (PubChem CID 159054722) has the molecular formula C58H79N7OS and a molecular weight of 922.39 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine
PubChem CID159054722
Molecular FormulaC58H79N7OS
Molecular Weight922.39 g/mol
Exact Mass921.61
IUPAC Name5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine
SMILESC.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1nccn2ccnc12.CC(C)(C)Oc1ncnc2ccsc12.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2ncccc2c1
InChIInChI=1S/C13H15N.C13H18.C11H15N3.C10H12N2OS.C10H15N.CH4/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-11(2,3)8-9-10-13-5-7-14(10)6-4-12-9;1-10(2,3)13-9-8-7(4-5-14-8)11-6-12-9;1-10(2,3)8-9-6-4-5-7-11-9;/h4-9H,1-3H3;7-9H,4-6H2,1-3H3;4-7H,8H2,1-3H3;4-6H,1-3H3;4-7H,8H2,1-3H3;1H4
InChIKeyJXSDEMHUZCBFIC-UHFFFAOYSA-N
XLogP15.50
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.39
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine?
The IUPAC name of 5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine (CID 159054722) is 5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine?
The canonical SMILES for 5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine is C.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1nccn2ccnc12.CC(C)(C)Oc1ncnc2ccsc12.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2ncccc2c1.
What is the InChIKey of 5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine?
The InChIKey is JXSDEMHUZCBFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C13H18.C11H15N3.C10H12N2OS.C10H15N.CH4/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-11(2,3)8-9-10-13-5-7-14(10)6-4-12-9;1-10(2,3)13-9-8-7(4-5-14-8)11-6-12-9;1-10(2,3)8-9-6-4-5-7-11-9;/h4-9H,1-3H3;7-9H,4-6H2,1-3H3;4-7H,8H2,1-3H3;4-6H,1-3H3;4-7H,8H2,1-3H3;1H4.
What are the key properties of 5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine?
5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine has a molecular weight of 922.39 g/mol, XLogP of 15.50, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 159054722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).