2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C14H10N6OS — CID 45274617

IUPAC2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cnco2)nc2sc(Cc3cnccn3)cc12
InChIInChI=1S/C14H10N6OS/c15-12-10-4-9(3-8-5-16-1-2-18-8)22-14(10)20-13(19-12)11-6-17-7-21-11/h1-2,4-7H,3H2,(H2,15,19,20)
InChIKeyKWVGRGWHXKMLPW-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.31
Rot. Bonds3

About 2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274617) has the molecular formula C14H10N6OS and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45274617
Molecular FormulaC14H10N6OS
Molecular Weight310.34 g/mol
Exact Mass310.06
IUPAC Name2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cnco2)nc2sc(Cc3cnccn3)cc12
InChIInChI=1S/C14H10N6OS/c15-12-10-4-9(3-8-5-16-1-2-18-8)22-14(10)20-13(19-12)11-6-17-7-21-11/h1-2,4-7H,3H2,(H2,15,19,20)
InChIKeyKWVGRGWHXKMLPW-UHFFFAOYSA-N
XLogP2.31
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45274617) is 2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2cnco2)nc2sc(Cc3cnccn3)cc12.
What is the InChIKey of 2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KWVGRGWHXKMLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6OS/c15-12-10-4-9(3-8-5-16-1-2-18-8)22-14(10)20-13(19-12)11-6-17-7-21-11/h1-2,4-7H,3H2,(H2,15,19,20).
What are the key properties of 2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 310.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).