1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C13H21N5O — CID 63220877

IUPAC1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CCCOCc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C13H21N5O/c1-9(2)5-4-6-19-8-11-16-12(14)10-7-15-18(3)13(10)17-11/h7,9H,4-6,8H2,1-3H3,(H2,14,16,17)
InChIKeyINNMWGBOBGMMIB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds6

About 1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220877) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220877
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CCCOCc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C13H21N5O/c1-9(2)5-4-6-19-8-11-16-12(14)10-7-15-18(3)13(10)17-11/h7,9H,4-6,8H2,1-3H3,(H2,14,16,17)
InChIKeyINNMWGBOBGMMIB-UHFFFAOYSA-N
XLogP1.90
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
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-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 63220877) is 1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)CCCOCc1nc(N)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is INNMWGBOBGMMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(2)5-4-6-19-8-11-16-12(14)10-7-15-18(3)13(10)17-11/h7,9H,4-6,8H2,1-3H3,(H2,14,16,17).
What are the key properties of 1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).