4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one

C15H17N5O — CID 15698869

IUPAC4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCCCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
InChIInChI=1S/C15H17N5O/c1-2-3-9-19-13(16)12-10-17-20(14(12)18-15(19)21)11-7-5-4-6-8-11/h4-8,10H,2-3,9,16H2,1H3
InChIKeyQPOWMLOBJHHMAL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.96
Rot. Bonds4

About 4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one

4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 15698869) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
PubChem CID15698869
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCCCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
InChIInChI=1S/C15H17N5O/c1-2-3-9-19-13(16)12-10-17-20(14(12)18-15(19)21)11-7-5-4-6-8-11/h4-8,10H,2-3,9,16H2,1H3
InChIKeyQPOWMLOBJHHMAL-UHFFFAOYSA-N
XLogP1.96
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one (CID 15698869) is 4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one is CCCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O.
What is the InChIKey of 4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is QPOWMLOBJHHMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-3-9-19-13(16)12-10-17-20(14(12)18-15(19)21)11-7-5-4-6-8-11/h4-8,10H,2-3,9,16H2,1H3.
What are the key properties of 4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 283.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 15698869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).