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

C16H19N5O2 — CID 135463722

IUPAC6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(N)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C16H19N5O2/c1-4-7-23-12-6-5-10(17)8-11(12)14-18-15-13(16(22)19-14)9(2)20-21(15)3/h5-6,8H,4,7,17H2,1-3H3,(H,18,19,22)
InChIKeyHXPURCXUTVJMPO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.00
Rot. Bonds4

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

6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135463722) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135463722
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(N)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C16H19N5O2/c1-4-7-23-12-6-5-10(17)8-11(12)14-18-15-13(16(22)19-14)9(2)20-21(15)3/h5-6,8H,4,7,17H2,1-3H3,(H,18,19,22)
InChIKeyHXPURCXUTVJMPO-UHFFFAOYSA-N
XLogP2.00
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.00
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)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135463722) is 6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCOc1ccc(N)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1.
What is the InChIKey of 6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HXPURCXUTVJMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-4-7-23-12-6-5-10(17)8-11(12)14-18-15-13(16(22)19-14)9(2)20-21(15)3/h5-6,8H,4,7,17H2,1-3H3,(H,18,19,22).
What are the key properties of 6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(5-amino-2-propoxyphenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 313.36 g/mol, XLogP of 2.00, 4 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)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135463722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).