7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine

C22H28N8OSSi — CID 66718587

IUPAC7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O[Si](C)(C)C)CCCC3)n2)n1
InChIInChI=1S/C22H28N8OSSi/c1-14-13-32-20(24-14)18-17-19(27-21(23)26-18)30(29-28-17)12-15-8-7-9-16(25-15)22(10-5-6-11-22)31-33(2,3)4/h7-9,13H,5-6,10-12H2,1-4H3,(H2,23,26,27)
InChIKeyYLNSHGGWPGMGFA-UHFFFAOYSA-N
MW480.67 g/mol
LogP4.30
Rot. Bonds6

About 7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine

7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 66718587) has the molecular formula C22H28N8OSSi and a molecular weight of 480.67 g/mol. Its IUPAC name is 7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID66718587
Molecular FormulaC22H28N8OSSi
Molecular Weight480.67 g/mol
Exact Mass480.19
IUPAC Name7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O[Si](C)(C)C)CCCC3)n2)n1
InChIInChI=1S/C22H28N8OSSi/c1-14-13-32-20(24-14)18-17-19(27-21(23)26-18)30(29-28-17)12-15-8-7-9-16(25-15)22(10-5-6-11-22)31-33(2,3)4/h7-9,13H,5-6,10-12H2,1-4H3,(H2,23,26,27)
InChIKeyYLNSHGGWPGMGFA-UHFFFAOYSA-N
XLogP4.30
TPSA117.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.67
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine (CID 66718587) is 7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine is Cc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O[Si](C)(C)C)CCCC3)n2)n1.
What is the InChIKey of 7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is YLNSHGGWPGMGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8OSSi/c1-14-13-32-20(24-14)18-17-19(27-21(23)26-18)30(29-28-17)12-15-8-7-9-16(25-15)22(10-5-6-11-22)31-33(2,3)4/h7-9,13H,5-6,10-12H2,1-4H3,(H2,23,26,27).
What are the key properties of 7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 480.67 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-(1-trimethylsilyloxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 66718587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).