(3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

C15H17N5OS — CID 134134094

IUPAC(3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESc1nc(NC2=NC[C@@]3(CN4CCC3CC4)O2)c2ccsc2n1
InChIInChI=1S/C15H17N5OS/c1-4-20-5-2-10(1)15(8-20)7-16-14(21-15)19-12-11-3-6-22-13(11)18-9-17-12/h3,6,9-10H,1-2,4-5,7-8H2,(H,16,17,18,19)/t15-/m0/s1
InChIKeyJULJTYPKAJMMAE-HNNXBMFYSA-N
MW315.40 g/mol
LogP1.95
Rot. Bonds1

About (3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

(3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 134134094) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is (3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID134134094
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name(3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESc1nc(NC2=NC[C@@]3(CN4CCC3CC4)O2)c2ccsc2n1
InChIInChI=1S/C15H17N5OS/c1-4-20-5-2-10(1)15(8-20)7-16-14(21-15)19-12-11-3-6-22-13(11)18-9-17-12/h3,6,9-10H,1-2,4-5,7-8H2,(H,16,17,18,19)/t15-/m0/s1
InChIKeyJULJTYPKAJMMAE-HNNXBMFYSA-N
XLogP1.95
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (CID 134134094) is (3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is c1nc(NC2=NC[C@@]3(CN4CCC3CC4)O2)c2ccsc2n1.
What is the InChIKey of (3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is JULJTYPKAJMMAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-4-20-5-2-10(1)15(8-20)7-16-14(21-15)19-12-11-3-6-22-13(11)18-9-17-12/h3,6,9-10H,1-2,4-5,7-8H2,(H,16,17,18,19)/t15-/m0/s1.
What are the key properties of (3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
(3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 315.40 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 134134094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).