2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride

C15H12ClN5OS — CID 68587536

IUPAC2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1nc(-c2ncco2)nc2sc(Cc3ccccn3)cc12
InChIInChI=1S/C15H11N5OS.ClH/c16-12-11-8-10(7-9-3-1-2-4-17-9)22-15(11)20-13(19-12)14-18-5-6-21-14;/h1-6,8H,7H2,(H2,16,19,20);1H
InChIKeyUOFRNAFLXTYBHN-UHFFFAOYSA-N
MW345.82 g/mol
LogP3.34
Rot. Bonds3

About 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride

2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 68587536) has the molecular formula C15H12ClN5OS and a molecular weight of 345.82 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID68587536
Molecular FormulaC15H12ClN5OS
Molecular Weight345.82 g/mol
Exact Mass345.05
IUPAC Name2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1nc(-c2ncco2)nc2sc(Cc3ccccn3)cc12
InChIInChI=1S/C15H11N5OS.ClH/c16-12-11-8-10(7-9-3-1-2-4-17-9)22-15(11)20-13(19-12)14-18-5-6-21-14;/h1-6,8H,7H2,(H2,16,19,20);1H
InChIKeyUOFRNAFLXTYBHN-UHFFFAOYSA-N
XLogP3.34
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 68587536) is 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is Cl.Nc1nc(-c2ncco2)nc2sc(Cc3ccccn3)cc12.
What is the InChIKey of 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is UOFRNAFLXTYBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS.ClH/c16-12-11-8-10(7-9-3-1-2-4-17-9)22-15(11)20-13(19-12)14-18-5-6-21-14;/h1-6,8H,7H2,(H2,16,19,20);1H.
What are the key properties of 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 345.82 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 68587536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).