6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine

C12H15N3OS2 — CID 79969235

IUPAC6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(C3CSCCO3)nc2s1
InChIInChI=1S/C12H15N3OS2/c1-2-7-5-8-10(13)14-11(15-12(8)18-7)9-6-17-4-3-16-9/h5,9H,2-4,6H2,1H3,(H2,13,14,15)
InChIKeyXJWZSWFEKWSPPW-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.64
Rot. Bonds2

About 6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 79969235) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID79969235
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(C3CSCCO3)nc2s1
InChIInChI=1S/C12H15N3OS2/c1-2-7-5-8-10(13)14-11(15-12(8)18-7)9-6-17-4-3-16-9/h5,9H,2-4,6H2,1H3,(H2,13,14,15)
InChIKeyXJWZSWFEKWSPPW-UHFFFAOYSA-N
XLogP2.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 79969235) is 6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N)nc(C3CSCCO3)nc2s1.
What is the InChIKey of 6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XJWZSWFEKWSPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-2-7-5-8-10(13)14-11(15-12(8)18-7)9-6-17-4-3-16-9/h5,9H,2-4,6H2,1H3,(H2,13,14,15).
What are the key properties of 6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 281.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79969235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).