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

C17H16ClN5OS — CID 68607740

IUPAC2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1nc(-c2ncco2)nc2sc(CCCc3ccccn3)cc12
InChIInChI=1S/C17H15N5OS.ClH/c18-14-13-10-12(6-3-5-11-4-1-2-7-19-11)24-17(13)22-15(21-14)16-20-8-9-23-16;/h1-2,4,7-10H,3,5-6H2,(H2,18,21,22);1H
InChIKeyCVKYLMSGQPKJMG-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.92
Rot. Bonds5

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

2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 68607740) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID68607740
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC Name2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1nc(-c2ncco2)nc2sc(CCCc3ccccn3)cc12
InChIInChI=1S/C17H15N5OS.ClH/c18-14-13-10-12(6-3-5-11-4-1-2-7-19-11)24-17(13)22-15(21-14)16-20-8-9-23-16;/h1-2,4,7-10H,3,5-6H2,(H2,18,21,22);1H
InChIKeyCVKYLMSGQPKJMG-UHFFFAOYSA-N
XLogP3.92
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.92
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-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 68607740) is 2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is Cl.Nc1nc(-c2ncco2)nc2sc(CCCc3ccccn3)cc12.
What is the InChIKey of 2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is CVKYLMSGQPKJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS.ClH/c18-14-13-10-12(6-3-5-11-4-1-2-7-19-11)24-17(13)22-15(21-14)16-20-8-9-23-16;/h1-2,4,7-10H,3,5-6H2,(H2,18,21,22);1H.
What are the key properties of 2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
2-(1,3-oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 373.87 g/mol, XLogP of 3.92, 5 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-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 68607740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).