6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H20N6O — CID 55161566

IUPAC6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCCN(C)Cc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C12H20N6O/c1-17(5-4-6-19-3)8-10-15-11(13)9-7-14-18(2)12(9)16-10/h7H,4-6,8H2,1-3H3,(H2,13,15,16)
InChIKeyKIFKJBTVANFIHG-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.41
Rot. Bonds6

About 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 55161566) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID55161566
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCCN(C)Cc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C12H20N6O/c1-17(5-4-6-19-3)8-10-15-11(13)9-7-14-18(2)12(9)16-10/h7H,4-6,8H2,1-3H3,(H2,13,15,16)
InChIKeyKIFKJBTVANFIHG-UHFFFAOYSA-N
XLogP0.41
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
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-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 55161566) is 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COCCCN(C)Cc1nc(N)c2cnn(C)c2n1.
What is the InChIKey of 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KIFKJBTVANFIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-17(5-4-6-19-3)8-10-15-11(13)9-7-14-18(2)12(9)16-10/h7H,4-6,8H2,1-3H3,(H2,13,15,16).
What are the key properties of 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 55161566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).