6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine

C20H18N4O2S2 — CID 142485955

IUPAC6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
SMILESCOCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C20H18N4O2S2/c1-26-10-11-28(25)20-16(21)15-17(13-6-3-2-4-7-13)23-18(24-19(15)27-20)14-8-5-9-22-12-14/h2-9,12H,10-11,21H2,1H3
InChIKeyRDOPWYIGWCBOMJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.76
Rot. Bonds6

About 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine

6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine (PubChem CID 142485955) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
PubChem CID142485955
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
SMILESCOCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C20H18N4O2S2/c1-26-10-11-28(25)20-16(21)15-17(13-6-3-2-4-7-13)23-18(24-19(15)27-20)14-8-5-9-22-12-14/h2-9,12H,10-11,21H2,1H3
InChIKeyRDOPWYIGWCBOMJ-UHFFFAOYSA-N
XLogP3.76
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine (CID 142485955) is 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine is COCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N.
What is the InChIKey of 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The InChIKey is RDOPWYIGWCBOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-26-10-11-28(25)20-16(21)15-17(13-6-3-2-4-7-13)23-18(24-19(15)27-20)14-8-5-9-22-12-14/h2-9,12H,10-11,21H2,1H3.
What are the key properties of 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine has a molecular weight of 410.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 142485955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).