2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol

C20H20N6O — CID 7708480

IUPAC2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCc1ccc(Nc2nc(NCCO)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C20H20N6O/c1-14-7-9-15(10-8-14)23-18-17-13-22-26(16-5-3-2-4-6-16)19(17)25-20(24-18)21-11-12-27/h2-10,13,27H,11-12H2,1H3,(H2,21,23,24,25)
InChIKeyJKPNWQXDDFPDTF-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.27
Rot. Bonds6

About 2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol

2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 7708480) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID7708480
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCc1ccc(Nc2nc(NCCO)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C20H20N6O/c1-14-7-9-15(10-8-14)23-18-17-13-22-26(16-5-3-2-4-6-16)19(17)25-20(24-18)21-11-12-27/h2-10,13,27H,11-12H2,1H3,(H2,21,23,24,25)
InChIKeyJKPNWQXDDFPDTF-UHFFFAOYSA-N
XLogP3.27
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol (CID 7708480) is 2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol is Cc1ccc(Nc2nc(NCCO)nc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of 2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is JKPNWQXDDFPDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-14-7-9-15(10-8-14)23-18-17-13-22-26(16-5-3-2-4-6-16)19(17)25-20(24-18)21-11-12-27/h2-10,13,27H,11-12H2,1H3,(H2,21,23,24,25).
What are the key properties of 2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 360.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 7708480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).