6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H21N5O2 — CID 135536759

IUPAC6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(N)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C17H21N5O2/c1-4-8-24-13-7-6-11(18)9-12(13)15-19-16-14(17(23)20-15)10(3)21-22(16)5-2/h6-7,9H,4-5,8,18H2,1-3H3,(H,19,20,23)
InChIKeyBVZYXQOYVZEIIL-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.49
Rot. Bonds5

About 6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135536759) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135536759
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(N)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C17H21N5O2/c1-4-8-24-13-7-6-11(18)9-12(13)15-19-16-14(17(23)20-15)10(3)21-22(16)5-2/h6-7,9H,4-5,8,18H2,1-3H3,(H,19,20,23)
InChIKeyBVZYXQOYVZEIIL-UHFFFAOYSA-N
XLogP2.49
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135536759) is 6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCOc1ccc(N)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1.
What is the InChIKey of 6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BVZYXQOYVZEIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-8-24-13-7-6-11(18)9-12(13)15-19-16-14(17(23)20-15)10(3)21-22(16)5-2/h6-7,9H,4-5,8,18H2,1-3H3,(H,19,20,23).
What are the key properties of 6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 327.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-propoxyphenyl)-1-ethyl-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135536759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).