2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C15H20N4S — CID 82753106

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CN2CCC3CCCCC32)nc2sccc12
InChIInChI=1S/C15H20N4S/c16-14-11-6-8-20-15(11)18-13(17-14)9-19-7-5-10-3-1-2-4-12(10)19/h6,8,10,12H,1-5,7,9H2,(H2,16,17,18)
InChIKeyOPCHOKLJRNZDRY-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.04
Rot. Bonds2

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 82753106) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID82753106
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CN2CCC3CCCCC32)nc2sccc12
InChIInChI=1S/C15H20N4S/c16-14-11-6-8-20-15(11)18-13(17-14)9-19-7-5-10-3-1-2-4-12(10)19/h6,8,10,12H,1-5,7,9H2,(H2,16,17,18)
InChIKeyOPCHOKLJRNZDRY-UHFFFAOYSA-N
XLogP3.04
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 82753106) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(CN2CCC3CCCCC32)nc2sccc12.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OPCHOKLJRNZDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c16-14-11-6-8-20-15(11)18-13(17-14)9-19-7-5-10-3-1-2-4-12(10)19/h6,8,10,12H,1-5,7,9H2,(H2,16,17,18).
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 288.42 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82753106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).