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

C15H11N5OS — CID 45274517

IUPAC2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ncco2)nc2sc(Cc3ccccn3)cc12
InChIInChI=1S/C15H11N5OS/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)
InChIKeyOTXAYCGOVFDTNC-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.91
Rot. Bonds3

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

2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274517) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45274517
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ncco2)nc2sc(Cc3ccccn3)cc12
InChIInChI=1S/C15H11N5OS/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)
InChIKeyOTXAYCGOVFDTNC-UHFFFAOYSA-N
XLogP2.91
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.91
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?
The IUPAC name of 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45274517) is 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is 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?
The InChIKey is OTXAYCGOVFDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/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).
What are the key properties of 2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 309.35 g/mol, XLogP of 2.91, 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 is sourced from PubChem (CID 45274517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).