(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

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Launch Full Analysis

Related Compounds

(2S)-2-[[6-[6-[2-(methylamino)ethylamino]-3-pyridinyl]thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 153028508
N-[2-[[5-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]ethyl]cyclopropanecarboxamide
CID 147348332
[4-[[4-[4-[(2-hydroxy-1-phenylethyl)amino]thieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 78110912
6-(4-chlorophenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine
CID 97001140
6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 18382769
[(2S)-2-[[6-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethyl] acetate
CID 118970049
2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol
CID 65336697
2-hydroxy-1-[4-[[4-[4-[(2-methoxy-1-phenylethyl)amino]thieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethanone
CID 175024473
(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
CID 46213032
(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 176515272
2-hydroxy-1-[4-[[4-[4-[(2-methoxy-1-phenylethyl)amino]thieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]propan-1-one
CID 175021428
6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]thieno[3,2-d]pyrimidin-4-amine
CID 118969812

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).