methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol

C22H25N5O — CID 160667992

IUPACmethane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
SMILESC.Cc1nc(Nc2cccc(O)c2)c2cnn(CC(C)c3ccccc3)c2n1
InChIInChI=1S/C21H21N5O.CH4/c1-14(16-7-4-3-5-8-16)13-26-21-19(12-22-26)20(23-15(2)24-21)25-17-9-6-10-18(27)11-17;/h3-12,14,27H,13H2,1-2H3,(H,23,24,25);1H4
InChIKeyRMODORGUEAQXIW-UHFFFAOYSA-N
MW375.48 g/mol
LogP5.02
Rot. Bonds5

About methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol

methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol (PubChem CID 160667992) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Namemethane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
PubChem CID160667992
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Namemethane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
SMILESC.Cc1nc(Nc2cccc(O)c2)c2cnn(CC(C)c3ccccc3)c2n1
InChIInChI=1S/C21H21N5O.CH4/c1-14(16-7-4-3-5-8-16)13-26-21-19(12-22-26)20(23-15(2)24-21)25-17-9-6-10-18(27)11-17;/h3-12,14,27H,13H2,1-2H3,(H,23,24,25);1H4
InChIKeyRMODORGUEAQXIW-UHFFFAOYSA-N
XLogP5.02
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol?
The IUPAC name of methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol (CID 160667992) is methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol?
The canonical SMILES for methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol is C.Cc1nc(Nc2cccc(O)c2)c2cnn(CC(C)c3ccccc3)c2n1.
What is the InChIKey of methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol?
The InChIKey is RMODORGUEAQXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.CH4/c1-14(16-7-4-3-5-8-16)13-26-21-19(12-22-26)20(23-15(2)24-21)25-17-9-6-10-18(27)11-17;/h3-12,14,27H,13H2,1-2H3,(H,23,24,25);1H4.
What are the key properties of methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol?
methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol has a molecular weight of 375.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-[[6-methyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 160667992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).