6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C12H20N6O — CID 50795269

IUPAC6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOCCNc1nc(NC(C)C)c2cnn(C)c2n1
InChIInChI=1S/C12H20N6O/c1-8(2)15-10-9-7-14-18(3)11(9)17-12(16-10)13-5-6-19-4/h7-8H,5-6H2,1-4H3,(H2,13,15,16,17)
InChIKeyQEULPGKKRSHMKU-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.24
Rot. Bonds6

About 6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 50795269) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID50795269
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOCCNc1nc(NC(C)C)c2cnn(C)c2n1
InChIInChI=1S/C12H20N6O/c1-8(2)15-10-9-7-14-18(3)11(9)17-12(16-10)13-5-6-19-4/h7-8H,5-6H2,1-4H3,(H2,13,15,16,17)
InChIKeyQEULPGKKRSHMKU-UHFFFAOYSA-N
XLogP1.24
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 50795269) is 6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine is COCCNc1nc(NC(C)C)c2cnn(C)c2n1.
What is the InChIKey of 6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is QEULPGKKRSHMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-8(2)15-10-9-7-14-18(3)11(9)17-12(16-10)13-5-6-19-4/h7-8H,5-6H2,1-4H3,(H2,13,15,16,17).
What are the key properties of 6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 264.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 50795269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).