2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile

C18H15BrN8S — CID 164855097

IUPAC2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1cccc(Cn2cc(-c3nc(N)nc4c(Br)csc34)nn2)n1
InChIInChI=1S/C18H15BrN8S/c1-18(2,9-20)13-5-3-4-10(22-13)6-27-7-12(25-26-27)15-16-14(11(19)8-28-16)23-17(21)24-15/h3-5,7-8H,6H2,1-2H3,(H2,21,23,24)
InChIKeyUMZVJIJFMXMBFB-UHFFFAOYSA-N
MW455.35 g/mol
LogP3.54
Rot. Bonds4

About 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile

2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile (PubChem CID 164855097) has the molecular formula C18H15BrN8S and a molecular weight of 455.35 g/mol. Its IUPAC name is 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile
PubChem CID164855097
Molecular FormulaC18H15BrN8S
Molecular Weight455.35 g/mol
Exact Mass454.03
IUPAC Name2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1cccc(Cn2cc(-c3nc(N)nc4c(Br)csc34)nn2)n1
InChIInChI=1S/C18H15BrN8S/c1-18(2,9-20)13-5-3-4-10(22-13)6-27-7-12(25-26-27)15-16-14(11(19)8-28-16)23-17(21)24-15/h3-5,7-8H,6H2,1-2H3,(H2,21,23,24)
InChIKeyUMZVJIJFMXMBFB-UHFFFAOYSA-N
XLogP3.54
TPSA119.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
CID 164855127
2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855146
4-[1-(1-benzofuran-6-ylmethyl)triazol-4-yl]-7-bromothieno[3,2-d]pyrimidin-2-amine
CID 164855170
2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855162
3-[2-amino-6-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile
CID 135242275
3-[4-amino-5-fluoro-6-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-fluorobenzonitrile
CID 168728258
2-[6-[[4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 172812826
carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
CID 161034762
3-[2-amino-5-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile
CID 168728365
3-[2-amino-6-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methoxybenzonitrile
CID 135241619
8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine
CID 135382314
5-[2-amino-6-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile
CID 135272702

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile (CID 164855097) is 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile is CC(C)(C#N)c1cccc(Cn2cc(-c3nc(N)nc4c(Br)csc34)nn2)n1.
What is the InChIKey of 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile?
The InChIKey is UMZVJIJFMXMBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN8S/c1-18(2,9-20)13-5-3-4-10(22-13)6-27-7-12(25-26-27)15-16-14(11(19)8-28-16)23-17(21)24-15/h3-5,7-8H,6H2,1-2H3,(H2,21,23,24).
What are the key properties of 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile?
2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile has a molecular weight of 455.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 164855097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).