(2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol

C21H17N7O — CID 137366703

IUPAC(2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol
SMILESOC[C@@H](Nc1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1)c1ccccc1
InChIInChI=1S/C21H17N7O/c29-11-18(13-4-2-1-3-5-13)27-21-22-9-15-8-14(6-7-17(15)26-21)19-16-10-25-28-20(16)24-12-23-19/h1-10,12,18,29H,11H2,(H,22,26,27)(H,23,24,25,28)/t18-/m1/s1
InChIKeyHBZYEMPUDSHRLF-GOSISDBHSA-N
MW383.42 g/mol
LogP3.11
Rot. Bonds5

About (2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol

(2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol (PubChem CID 137366703) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol
PubChem CID137366703
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name(2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol
SMILESOC[C@@H](Nc1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1)c1ccccc1
InChIInChI=1S/C21H17N7O/c29-11-18(13-4-2-1-3-5-13)27-21-22-9-15-8-14(6-7-17(15)26-21)19-16-10-25-28-20(16)24-12-23-19/h1-10,12,18,29H,11H2,(H,22,26,27)(H,23,24,25,28)/t18-/m1/s1
InChIKeyHBZYEMPUDSHRLF-GOSISDBHSA-N
XLogP3.11
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol (CID 137366703) is (2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol is OC[C@@H](Nc1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol?
The InChIKey is HBZYEMPUDSHRLF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H17N7O/c29-11-18(13-4-2-1-3-5-13)27-21-22-9-15-8-14(6-7-17(15)26-21)19-16-10-25-28-20(16)24-12-23-19/h1-10,12,18,29H,11H2,(H,22,26,27)(H,23,24,25,28)/t18-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol?
(2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol has a molecular weight of 383.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol is sourced from PubChem (CID 137366703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).