N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H17N5O — CID 39864101

IUPACN-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCNc1ncnc2c1cnn2-c1ccccc1C
InChIInChI=1S/C15H17N5O/c1-11-5-3-4-6-13(11)20-15-12(9-19-20)14(17-10-18-15)16-7-8-21-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyHHFXXIQSALYPCO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.18
Rot. Bonds5

About N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 39864101) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID39864101
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCNc1ncnc2c1cnn2-c1ccccc1C
InChIInChI=1S/C15H17N5O/c1-11-5-3-4-6-13(11)20-15-12(9-19-20)14(17-10-18-15)16-7-8-21-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyHHFXXIQSALYPCO-UHFFFAOYSA-N
XLogP2.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 30877188
4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587
1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 104508918
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
1-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205478
N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 110432057
2-[2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 17017577
1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 51699853
N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 110432089
1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 940192
1-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432065
1-(3-methylphenyl)-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866417

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 39864101) is N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COCCNc1ncnc2c1cnn2-c1ccccc1C.
What is the InChIKey of N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HHFXXIQSALYPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-5-3-4-6-13(11)20-15-12(9-19-20)14(17-10-18-15)16-7-8-21-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 283.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 39864101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).