2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol

C12H17N3OS2 — CID 103335360

IUPAC2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
SMILESCCc1cc2c(SC(C)CO)nc(NC)nc2s1
InChIInChI=1S/C12H17N3OS2/c1-4-8-5-9-10(17-7(2)6-16)14-12(13-3)15-11(9)18-8/h5,7,16H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyWCRBJQMGHBGFNE-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.77
Rot. Bonds5

About 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol

2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol (PubChem CID 103335360) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
PubChem CID103335360
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC Name2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
SMILESCCc1cc2c(SC(C)CO)nc(NC)nc2s1
InChIInChI=1S/C12H17N3OS2/c1-4-8-5-9-10(17-7(2)6-16)14-12(13-3)15-11(9)18-8/h5,7,16H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyWCRBJQMGHBGFNE-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol?
The IUPAC name of 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol (CID 103335360) is 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol?
The canonical SMILES for 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol is CCc1cc2c(SC(C)CO)nc(NC)nc2s1.
What is the InChIKey of 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol?
The InChIKey is WCRBJQMGHBGFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c1-4-8-5-9-10(17-7(2)6-16)14-12(13-3)15-11(9)18-8/h5,7,16H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol?
2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 103335360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).