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'}

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

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Related Compounds

1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
2-undecyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11289252
2-decyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11380352
N-(2,2-dimethoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 7197187
2-(ethyl(1-methyl-4-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethanol
CID 7216404
2-nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11149670
2-octyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11242074
N-(1-(2-(Diisopropylamino)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide hydrochloride
CID 71223119
N-(1-(2-(4-methyl-1,4-diazepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71225888
N-(1-(2-(1,4-oxazepan-4-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71225920
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
1-Methyl-4-(4-methylpiperazinyl)pyrazolo[5,4-d]pyrimidine
CID 2808976

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).