5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine

C17H17N5OS — CID 46227561

IUPAC5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CC4CCC(C3)O4)c3sccc3n2)cn1
InChIInChI=1S/C17H17N5OS/c18-14-4-1-10(7-19-14)16-20-13-5-6-24-15(13)17(21-16)22-8-11-2-3-12(9-22)23-11/h1,4-7,11-12H,2-3,8-9H2,(H2,18,19)
InChIKeyYTNADJDHKAORBK-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.70
Rot. Bonds2

About 5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine

5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine (PubChem CID 46227561) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
PubChem CID46227561
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CC4CCC(C3)O4)c3sccc3n2)cn1
InChIInChI=1S/C17H17N5OS/c18-14-4-1-10(7-19-14)16-20-13-5-6-24-15(13)17(21-16)22-8-11-2-3-12(9-22)23-11/h1,4-7,11-12H,2-3,8-9H2,(H2,18,19)
InChIKeyYTNADJDHKAORBK-UHFFFAOYSA-N
XLogP2.70
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-Methyl-5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyrimidin-2-Amine
CID 24946706
5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyridin-2-Amine
CID 44620965
5-(6-(2-Aminopropan-2-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109014
5-(4-Morpholino-thieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109202
Gne-493
CID 25242324
2-(2-(2-Amino-4-methylpyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol
CID 46180666
mTOR inhibitor-13
CID 46227572
1-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46227579
mTOR inhibitor 9a
CID 46227596
mTOR inhibitor 9b
CID 46227599
mTOR inhibitor 9c
CID 46227600
1-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-(pyridin-3-yl)urea
CID 46227606

Frequently Asked Questions

What is the IUPAC name of 5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine (CID 46227561) is 5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine is Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3sccc3n2)cn1.
What is the InChIKey of 5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The InChIKey is YTNADJDHKAORBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c18-14-4-1-10(7-19-14)16-20-13-5-6-24-15(13)17(21-16)22-8-11-2-3-12(9-22)23-11/h1,4-7,11-12H,2-3,8-9H2,(H2,18,19).
What are the key properties of 5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine has a molecular weight of 339.42 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 46227561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).