6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C13H20N6O — CID 103538617

IUPAC6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCC(OC)C2)nc2c1cnn2C
InChIInChI=1S/C13H20N6O/c1-14-12-10-6-15-18(2)13(10)17-11(16-12)8-19-5-4-9(7-19)20-3/h6,9H,4-5,7-8H2,1-3H3,(H,14,16,17)
InChIKeyYBOGJKXWIAPAPC-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.63
Rot. Bonds4

About 6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 103538617) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID103538617
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCC(OC)C2)nc2c1cnn2C
InChIInChI=1S/C13H20N6O/c1-14-12-10-6-15-18(2)13(10)17-11(16-12)8-19-5-4-9(7-19)20-3/h6,9H,4-5,7-8H2,1-3H3,(H,14,16,17)
InChIKeyYBOGJKXWIAPAPC-UHFFFAOYSA-N
XLogP0.63
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63222121
N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220746
6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220823
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol
CID 63221261
1-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione
CID 63220999
3-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64830431
[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
CID 63221291
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63220432
N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220908
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
[6-[(4,4-dimethylpiperidin-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63222122
N-ethyl-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220147

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 103538617) is 6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(CN2CCC(OC)C2)nc2c1cnn2C.
What is the InChIKey of 6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YBOGJKXWIAPAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-14-12-10-6-15-18(2)13(10)17-11(16-12)8-19-5-4-9(7-19)20-3/h6,9H,4-5,7-8H2,1-3H3,(H,14,16,17).
What are the key properties of 6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103538617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).