2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol

C16H19N5O2 — CID 4581219

IUPAC2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C16H19N5O2/c1-3-11(9-22)20-15-14-8-19-21(16(14)18-10-17-15)12-4-6-13(23-2)7-5-12/h4-8,10-11,22H,3,9H2,1-2H3,(H,17,18,20)
InChIKeyMAOUXSDZINWWAN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.01
Rot. Bonds6

About 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol

2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 4581219) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol
PubChem CID4581219
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C16H19N5O2/c1-3-11(9-22)20-15-14-8-19-21(16(14)18-10-17-15)12-4-6-13(23-2)7-5-12/h4-8,10-11,22H,3,9H2,1-2H3,(H,17,18,20)
InChIKeyMAOUXSDZINWWAN-UHFFFAOYSA-N
XLogP2.01
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol (CID 4581219) is 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol is CCC(CO)Nc1ncnc2c1cnn2-c1ccc(OC)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is MAOUXSDZINWWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-3-11(9-22)20-15-14-8-19-21(16(14)18-10-17-15)12-4-6-13(23-2)7-5-12/h4-8,10-11,22H,3,9H2,1-2H3,(H,17,18,20).
What are the key properties of 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol?
2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 313.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 4581219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).