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

C15H20N4S — CID 61233127

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3CC4CCC(C3)N4)ncnc2s1
InChIInChI=1S/C15H20N4S/c1-2-12-7-13-14(16-8-17-15(13)20-12)19-11-5-9-3-4-10(6-11)18-9/h7-11,18H,2-6H2,1H3,(H,16,17,19)
InChIKeyRGMWZWSQZODAOE-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.95
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 61233127) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID61233127
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3CC4CCC(C3)N4)ncnc2s1
InChIInChI=1S/C15H20N4S/c1-2-12-7-13-14(16-8-17-15(13)20-12)19-11-5-9-3-4-10(6-11)18-9/h7-11,18H,2-6H2,1H3,(H,16,17,19)
InChIKeyRGMWZWSQZODAOE-UHFFFAOYSA-N
XLogP2.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 61233127) is N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC3CC4CCC(C3)N4)ncnc2s1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RGMWZWSQZODAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-12-7-13-14(16-8-17-15(13)20-12)19-11-5-9-3-4-10(6-11)18-9/h7-11,18H,2-6H2,1H3,(H,16,17,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 288.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 61233127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).