5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine

C61H82N10S — CID 157067530

IUPAC5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine
SMILESCC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncnc2ccsc12.CC(C)(C)c1ncnn2ccnc12
InChIInChI=1S/C13H15N.C12H17N.C10H12N2S.C9H12N4.C9H13N.C8H13N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-10(2,3)9-8-7(4-5-13-8)11-6-12-9;1-9(2,3)7-8-10-4-5-13(8)12-6-11-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7/h4-9H,1-3H3;4-6,13H,7-8H2,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;4,6H,5H2,1-3H3
InChIKeyACAYXQPKNHTMQF-UHFFFAOYSA-N
MW987.46 g/mol
LogP14.95
Rot. Bonds

About 5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine

5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine (PubChem CID 157067530) has the molecular formula C61H82N10S and a molecular weight of 987.46 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine
PubChem CID157067530
Molecular FormulaC61H82N10S
Molecular Weight987.46 g/mol
Exact Mass986.64
IUPAC Name5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine
SMILESCC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncnc2ccsc12.CC(C)(C)c1ncnn2ccnc12
InChIInChI=1S/C13H15N.C12H17N.C10H12N2S.C9H12N4.C9H13N.C8H13N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-10(2,3)9-8-7(4-5-13-8)11-6-12-9;1-9(2,3)7-8-10-4-5-13(8)12-6-11-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7/h4-9H,1-3H3;4-6,13H,7-8H2,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;4,6H,5H2,1-3H3
InChIKeyACAYXQPKNHTMQF-UHFFFAOYSA-N
XLogP14.95
TPSA119.03 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500987.46
LogP ≤ 514.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
10-tert-butyl-14-(3-quinolin-6-ylphenyl)-20-thia-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8(13),9,11,16,18,21-decaene
CID 129254882
6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 158095111
6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butylquinazoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158060695
tert-butylbenzene;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-indene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;ethane
CID 159087796
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671
2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine
CID 150286904
2-tert-butylpyridine;ethane;methane
CID 143332153
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
1-(2-fluorophenyl)-1-quinolin-6-ylethanol
CID 81215960
1-(2-bromophenyl)-1-quinolin-6-ylethanamine
CID 81216742
1-(2-chlorophenyl)-1-quinolin-6-ylethanamine
CID 81215859

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine?
The IUPAC name of 5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine (CID 157067530) is 5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine?
The canonical SMILES for 5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine is CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncnc2ccsc12.CC(C)(C)c1ncnn2ccnc12.
What is the InChIKey of 5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine?
The InChIKey is ACAYXQPKNHTMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H17N.C10H12N2S.C9H12N4.C9H13N.C8H13N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-10(2,3)9-8-7(4-5-13-8)11-6-12-9;1-9(2,3)7-8-10-4-5-13(8)12-6-11-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7/h4-9H,1-3H3;4-6,13H,7-8H2,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;4,6H,5H2,1-3H3.
What are the key properties of 5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine?
5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine has a molecular weight of 987.46 g/mol, XLogP of 14.95, 0 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 157067530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).