(2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol

C19H15FN4OS — CID 148887710

IUPAC(2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol
SMILESOC[C@@H](Nc1ncnc2cc(-c3ccc(F)nc3)sc12)c1ccccc1
InChIInChI=1S/C19H15FN4OS/c20-17-7-6-13(9-21-17)16-8-14-18(26-16)19(23-11-22-14)24-15(10-25)12-4-2-1-3-5-12/h1-9,11,15,25H,10H2,(H,22,23,24)/t15-/m1/s1
InChIKeyPEHOHLRYNCXNDZ-OAHLLOKOSA-N
MW366.42 g/mol
LogP4.04
Rot. Bonds5

About (2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol

(2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol (PubChem CID 148887710) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is (2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol
PubChem CID148887710
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name(2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol
SMILESOC[C@@H](Nc1ncnc2cc(-c3ccc(F)nc3)sc12)c1ccccc1
InChIInChI=1S/C19H15FN4OS/c20-17-7-6-13(9-21-17)16-8-14-18(26-16)19(23-11-22-14)24-15(10-25)12-4-2-1-3-5-12/h1-9,11,15,25H,10H2,(H,22,23,24)/t15-/m1/s1
InChIKeyPEHOHLRYNCXNDZ-OAHLLOKOSA-N
XLogP4.04
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol 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 (2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol (CID 148887710) is (2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol is OC[C@@H](Nc1ncnc2cc(-c3ccc(F)nc3)sc12)c1ccccc1.
What is the InChIKey of (2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The InChIKey is PEHOHLRYNCXNDZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15FN4OS/c20-17-7-6-13(9-21-17)16-8-14-18(26-16)19(23-11-22-14)24-15(10-25)12-4-2-1-3-5-12/h1-9,11,15,25H,10H2,(H,22,23,24)/t15-/m1/s1.
What are the key properties of (2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol?
(2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol has a molecular weight of 366.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol is sourced from PubChem (CID 148887710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).