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

C14H14ClN5O — CID 661032

IUPAC1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN5O/c1-21-7-6-16-13-12-8-19-20(14(12)18-9-17-13)11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3,(H,16,17,18)
InChIKeyNAXFJMLGJUBBEL-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.53
Rot. Bonds5

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

1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661032) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661032
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN5O/c1-21-7-6-16-13-12-8-19-20(14(12)18-9-17-13)11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3,(H,16,17,18)
InChIKeyNAXFJMLGJUBBEL-UHFFFAOYSA-N
XLogP2.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 661032) is 1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine is COCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NAXFJMLGJUBBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-21-7-6-16-13-12-8-19-20(14(12)18-9-17-13)11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.75 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).