1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

C21H21N5O — CID 11371816

IUPAC1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESOC(Cn1ncc2c(NCCc3ccccc3)ncnc21)c1ccccc1
InChIInChI=1S/C21H21N5O/c27-19(17-9-5-2-6-10-17)14-26-21-18(13-25-26)20(23-15-24-21)22-12-11-16-7-3-1-4-8-16/h1-10,13,15,19,27H,11-12,14H2,(H,22,23,24)
InChIKeyMWGRSUFXCMYXGU-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.21
Rot. Bonds7

About 1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol (PubChem CID 11371816) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
PubChem CID11371816
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESOC(Cn1ncc2c(NCCc3ccccc3)ncnc21)c1ccccc1
InChIInChI=1S/C21H21N5O/c27-19(17-9-5-2-6-10-17)14-26-21-18(13-25-26)20(23-15-24-21)22-12-11-16-7-3-1-4-8-16/h1-10,13,15,19,27H,11-12,14H2,(H,22,23,24)
InChIKeyMWGRSUFXCMYXGU-UHFFFAOYSA-N
XLogP3.21
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 86774024
N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63266231
1-(3-methylphenyl)-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866417
4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 47295068
6-butylsulfanyl-1-(2-chloro-2-phenylethyl)-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 121316145
N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63023995
2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 86774098
1-[2-chloro-2-(4-chlorophenyl)ethyl]-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 52951669
methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 133349842
1-(3-chloro-4-methylphenyl)-N-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017502
1-[2-chloro-2-(4-iodophenyl)ethyl]-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 71745496
1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63276754

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The IUPAC name of 1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol (CID 11371816) is 1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol is OC(Cn1ncc2c(NCCc3ccccc3)ncnc21)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The InChIKey is MWGRSUFXCMYXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-19(17-9-5-2-6-10-17)14-26-21-18(13-25-26)20(23-15-24-21)22-12-11-16-7-3-1-4-8-16/h1-10,13,15,19,27H,11-12,14H2,(H,22,23,24).
What are the key properties of 1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol has a molecular weight of 359.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol is sourced from PubChem (CID 11371816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).