6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

C16H16N6O2S3 — CID 167341459

IUPAC6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
SMILESCOCCS(=O)c1sc2nc(-c3nccs3)nc(-c3cncn3C)c2c1N
InChIInChI=1S/C16H16N6O2S3/c1-22-8-18-7-9(22)12-10-11(17)16(27(23)6-4-24-2)26-14(10)21-13(20-12)15-19-3-5-25-15/h3,5,7-8H,4,6,17H2,1-2H3
InChIKeyBKXZHRJAKKYNHZ-UHFFFAOYSA-N
MW420.55 g/mol
LogP2.55
Rot. Bonds6

About 6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (PubChem CID 167341459) has the molecular formula C16H16N6O2S3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
PubChem CID167341459
Molecular FormulaC16H16N6O2S3
Molecular Weight420.55 g/mol
Exact Mass420.05
IUPAC Name6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
SMILESCOCCS(=O)c1sc2nc(-c3nccs3)nc(-c3cncn3C)c2c1N
InChIInChI=1S/C16H16N6O2S3/c1-22-8-18-7-9(22)12-10-11(17)16(27(23)6-4-24-2)26-14(10)21-13(20-12)15-19-3-5-25-15/h3,5,7-8H,4,6,17H2,1-2H3
InChIKeyBKXZHRJAKKYNHZ-UHFFFAOYSA-N
XLogP2.55
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (CID 167341459) is 6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is COCCS(=O)c1sc2nc(-c3nccs3)nc(-c3cncn3C)c2c1N.
What is the InChIKey of 6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The InChIKey is BKXZHRJAKKYNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S3/c1-22-8-18-7-9(22)12-10-11(17)16(27(23)6-4-24-2)26-14(10)21-13(20-12)15-19-3-5-25-15/h3,5,7-8H,4,6,17H2,1-2H3.
What are the key properties of 6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine has a molecular weight of 420.55 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 167341459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).