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

C20H17FN4O2S2 — CID 142485941

IUPAC4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
SMILESCOCC[S@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C20H17FN4O2S2/c1-27-9-10-29(26)20-16(22)15-17(12-4-6-14(21)7-5-12)24-18(25-19(15)28-20)13-3-2-8-23-11-13/h2-8,11H,9-10,22H2,1H3/t29-/m0/s1
InChIKeyGQOGOCIAYFLUBJ-LJAQVGFWSA-N
MW428.51 g/mol
LogP3.90
Rot. Bonds6

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

4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine (PubChem CID 142485941) has the molecular formula C20H17FN4O2S2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
PubChem CID142485941
Molecular FormulaC20H17FN4O2S2
Molecular Weight428.51 g/mol
Exact Mass428.08
IUPAC Name4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
SMILESCOCC[S@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C20H17FN4O2S2/c1-27-9-10-29(26)20-16(22)15-17(12-4-6-14(21)7-5-12)24-18(25-19(15)28-20)13-3-2-8-23-11-13/h2-8,11H,9-10,22H2,1H3/t29-/m0/s1
InChIKeyGQOGOCIAYFLUBJ-LJAQVGFWSA-N
XLogP3.90
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine (CID 142485941) is 4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine is COCC[S@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccc(F)cc3)c2c1N.
What is the InChIKey of 4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The InChIKey is GQOGOCIAYFLUBJ-LJAQVGFWSA-N. The full InChI is InChI=1S/C20H17FN4O2S2/c1-27-9-10-29(26)20-16(22)15-17(12-4-6-14(21)7-5-12)24-18(25-19(15)28-20)13-3-2-8-23-11-13/h2-8,11H,9-10,22H2,1H3/t29-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine has a molecular weight of 428.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 142485941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).