[4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane

C33H47N3SSi — CID 177286205

IUPAC[4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane
SMILESCc1ccc2cc(-c3ncnc4c(C)c([Si](CC(C)C)(CC(C)C)CC(C)C)sc34)cc(C(C)(C)C)c2n1
InChIInChI=1S/C33H47N3SSi/c1-20(2)16-38(17-21(3)4,18-22(5)6)32-24(8)28-31(37-32)30(35-19-34-28)26-14-25-13-12-23(7)36-29(25)27(15-26)33(9,10)11/h12-15,19-22H,16-18H2,1-11H3
InChIKeyXOICJQILBSIYCT-UHFFFAOYSA-N
MW545.91 g/mol
LogP9.44
Rot. Bonds8

About [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane

[4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane (PubChem CID 177286205) has the molecular formula C33H47N3SSi and a molecular weight of 545.91 g/mol. Its IUPAC name is [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane.

Molecular Properties

Compound Name[4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane
PubChem CID177286205
Molecular FormulaC33H47N3SSi
Molecular Weight545.91 g/mol
Exact Mass545.33
IUPAC Name[4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane
SMILESCc1ccc2cc(-c3ncnc4c(C)c([Si](CC(C)C)(CC(C)C)CC(C)C)sc34)cc(C(C)(C)C)c2n1
InChIInChI=1S/C33H47N3SSi/c1-20(2)16-38(17-21(3)4,18-22(5)6)32-24(8)28-31(37-32)30(35-19-34-28)26-14-25-13-12-23(7)36-29(25)27(15-26)33(9,10)11/h12-15,19-22H,16-18H2,1-11H3
InChIKeyXOICJQILBSIYCT-UHFFFAOYSA-N
XLogP9.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.91
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

7-(2,2-dimethylpropyl)-4-(2-methyl-8-propan-2-ylquinolin-6-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177286120
4-(4-tert-butylnaphthalen-2-yl)-6-(3,4-dimethyl-5-phenylthiophen-2-yl)-7-methylthieno[3,2-d]pyrimidine
CID 163493015
6,8-ditert-butyl-2-methylquinoline
CID 167019178
4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine
CID 153428560
4-(4-tert-butylnaphthalen-2-yl)-7-isocyano-6-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 164783347
4-(4-tert-butylnaphthalen-2-yl)-7-(3-fluoropropyl)-6-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 176623383
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-[7-methyl-6-[tris(2-methylpropyl)silyl]thieno[3,2-d]pyrimidin-4-yl]-4H-naphthalen-4-id-1-yl]silane
CID 176855309
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-4-(4-tert-butylnaphthalen-2-yl)-6-methylthieno[3,2-d]pyrimidine
CID 171578898
4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine
CID 176748895
[4-[4-(8-tert-butyl-2-methyl-5H-quinolin-5-id-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-3-methylphenyl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 177286185
(2S)-2,4-dimethyl-1-[4-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 137459409
4-(4-tert-butylnaphthalen-2-yl)-7-methyl-6-(4-spiro[5.5]undecan-3-ylphenyl)thieno[3,2-d]pyrimidine
CID 163430215

Frequently Asked Questions

What is the IUPAC name of [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane?
The IUPAC name of [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane (CID 177286205) is [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane.
What is the SMILES notation for [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane?
The canonical SMILES for [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane is Cc1ccc2cc(-c3ncnc4c(C)c([Si](CC(C)C)(CC(C)C)CC(C)C)sc34)cc(C(C)(C)C)c2n1.
What is the InChIKey of [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane?
The InChIKey is XOICJQILBSIYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N3SSi/c1-20(2)16-38(17-21(3)4,18-22(5)6)32-24(8)28-31(37-32)30(35-19-34-28)26-14-25-13-12-23(7)36-29(25)27(15-26)33(9,10)11/h12-15,19-22H,16-18H2,1-11H3.
What are the key properties of [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane?
[4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane has a molecular weight of 545.91 g/mol, XLogP of 9.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane is sourced from PubChem (CID 177286205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).