(2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C20H17N3OS — CID 59322699

IUPAC(2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOC[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C20H17N3OS/c24-12-17(14-7-3-1-4-8-14)23-19-16-11-18(15-9-5-2-6-10-15)25-20(16)22-13-21-19/h1-11,13,17,24H,12H2,(H,21,22,23)/t17-/m1/s1
InChIKeyGKSZBFDMOQFVCQ-QGZVFWFLSA-N
MW347.44 g/mol
LogP4.50
Rot. Bonds5

About (2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

(2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 59322699) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID59322699
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name(2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOC[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C20H17N3OS/c24-12-17(14-7-3-1-4-8-14)23-19-16-11-18(15-9-5-2-6-10-15)25-20(16)22-13-21-19/h1-11,13,17,24H,12H2,(H,21,22,23)/t17-/m1/s1
InChIKeyGKSZBFDMOQFVCQ-QGZVFWFLSA-N
XLogP4.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 59322699) is (2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is OC[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is GKSZBFDMOQFVCQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-12-17(14-7-3-1-4-8-14)23-19-16-11-18(15-9-5-2-6-10-15)25-20(16)22-13-21-19/h1-11,13,17,24H,12H2,(H,21,22,23)/t17-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
(2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 347.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 59322699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).