8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

C15H20N4S — CID 61235765

IUPAC8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1sc2ncnc(N3C4CCC3CC(N)C4)c2c1C
InChIInChI=1S/C15H20N4S/c1-8-9(2)20-15-13(8)14(17-7-18-15)19-11-3-4-12(19)6-10(16)5-11/h7,10-12H,3-6,16H2,1-2H3
InChIKeyIQMIFUILJWAGJF-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.77
Rot. Bonds1

About 8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61235765) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61235765
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1sc2ncnc(N3C4CCC3CC(N)C4)c2c1C
InChIInChI=1S/C15H20N4S/c1-8-9(2)20-15-13(8)14(17-7-18-15)19-11-3-4-12(19)6-10(16)5-11/h7,10-12H,3-6,16H2,1-2H3
InChIKeyIQMIFUILJWAGJF-UHFFFAOYSA-N
XLogP2.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
4-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
CID 114203372
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 9279863
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
ethyl 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133298043
1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976599
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 62318881
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 114422383
4-[2-(2-chloroethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63392508

Frequently Asked Questions

What is the IUPAC name of 8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61235765) is 8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1sc2ncnc(N3C4CCC3CC(N)C4)c2c1C.
What is the InChIKey of 8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IQMIFUILJWAGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-8-9(2)20-15-13(8)14(17-7-18-15)19-11-3-4-12(19)6-10(16)5-11/h7,10-12H,3-6,16H2,1-2H3.
What are the key properties of 8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 288.42 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61235765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).