4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine

C31H30N2SSi — CID 176748895

IUPAC4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine
SMILESCc1c(-c2ccc3c(c2)C=C[Si]3(C)C)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)ncnc12
InChIInChI=1S/C31H30N2SSi/c1-19-27-30(34-29(19)22-11-12-26-21(16-22)13-14-35(26,5)6)28(33-18-32-27)23-15-20-9-7-8-10-24(20)25(17-23)31(2,3)4/h7-18H,1-6H3
InChIKeyHVUVNNKIVPBTKZ-UHFFFAOYSA-N
MW490.75 g/mol
LogP8.27
Rot. Bonds2

About 4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine

4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine (PubChem CID 176748895) has the molecular formula C31H30N2SSi and a molecular weight of 490.75 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine
PubChem CID176748895
Molecular FormulaC31H30N2SSi
Molecular Weight490.75 g/mol
Exact Mass490.19
IUPAC Name4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine
SMILESCc1c(-c2ccc3c(c2)C=C[Si]3(C)C)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)ncnc12
InChIInChI=1S/C31H30N2SSi/c1-19-27-30(34-29(19)22-11-12-26-21(16-22)13-14-35(26,5)6)28(33-18-32-27)23-15-20-9-7-8-10-24(20)25(17-23)31(2,3)4/h7-18H,1-6H3
InChIKeyHVUVNNKIVPBTKZ-UHFFFAOYSA-N
XLogP8.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.75
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylnaphthalen-2-yl)-6-(3,4-dimethyl-5-phenylthiophen-2-yl)-7-methylthieno[3,2-d]pyrimidine
CID 163493015
4-(4-tert-butylnaphthalen-2-yl)-7-methyl-6-(4-spiro[5.5]undecan-3-ylphenyl)thieno[3,2-d]pyrimidine
CID 163430215
4-(4-tert-butylnaphthalen-2-yl)-7-isocyano-6-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 164783347
15-(4-tert-butylnaphthalen-2-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene
CID 171581251
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
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
4-(4-tert-butylnaphthalen-2-yl)-7-(3-fluoropropyl)-6-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 176623383
4-(4-tert-butylnaphthalen-2-yl)-2-deuterio-6-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-7-methylthieno[3,2-d]pyrimidine
CID 164932074
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane
CID 163651391
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
CID 165172664
4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine
CID 153428560
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine
CID 171578743

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine (CID 176748895) is 4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine is Cc1c(-c2ccc3c(c2)C=C[Si]3(C)C)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)ncnc12.
What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is HVUVNNKIVPBTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2SSi/c1-19-27-30(34-29(19)22-11-12-26-21(16-22)13-14-35(26,5)6)28(33-18-32-27)23-15-20-9-7-8-10-24(20)25(17-23)31(2,3)4/h7-18H,1-6H3.
What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine?
4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 490.75 g/mol, XLogP of 8.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dimethyl-1-benzosilol-5-yl)-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 176748895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).