6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C20H26N6O2 — CID 134561023

IUPAC6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCOc1nc(N)c2cnn(Cc3ccc(CN4CCCC4)cc3)c2n1
InChIInChI=1S/C20H26N6O2/c1-27-10-11-28-20-23-18(21)17-12-22-26(19(17)24-20)14-16-6-4-15(5-7-16)13-25-8-2-3-9-25/h4-7,12H,2-3,8-11,13-14H2,1H3,(H2,21,23,24)
InChIKeyIVKWLEVEJVNBSE-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.08
Rot. Bonds8

About 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 134561023) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID134561023
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCOc1nc(N)c2cnn(Cc3ccc(CN4CCCC4)cc3)c2n1
InChIInChI=1S/C20H26N6O2/c1-27-10-11-28-20-23-18(21)17-12-22-26(19(17)24-20)14-16-6-4-15(5-7-16)13-25-8-2-3-9-25/h4-7,12H,2-3,8-11,13-14H2,1H3,(H2,21,23,24)
InChIKeyIVKWLEVEJVNBSE-UHFFFAOYSA-N
XLogP2.08
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146188039
[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-yl] carbamate
CID 175111264
6-[(1R)-1-pyridin-4-ylbutoxy]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146188081
6-[(3R)-1-methoxyhexan-3-yl]oxy-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146171807
2-amino-N-[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]acetamide
CID 147544626
1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-[1-(1,3-thiazol-5-yl)butoxy]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146174239
decyl N-[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]carbamate
CID 147420907
methyl 6-(oxetan-2-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 153351983
6-(pyridin-4-ylmethoxy)-1-(7-pyrrolidin-1-ylheptyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 146174212
9-[[2-chloro-5-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-8-methoxy-2-(2-methoxyethoxy)purin-6-amine
CID 58234541
4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 146187717
9-[[2-isocyano-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-8-methoxy-2-(2-methoxyethoxy)purin-6-amine
CID 58234596

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 134561023) is 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is COCCOc1nc(N)c2cnn(Cc3ccc(CN4CCCC4)cc3)c2n1.
What is the InChIKey of 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IVKWLEVEJVNBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-27-10-11-28-20-23-18(21)17-12-22-26(19(17)24-20)14-16-6-4-15(5-7-16)13-25-8-2-3-9-25/h4-7,12H,2-3,8-11,13-14H2,1H3,(H2,21,23,24).
What are the key properties of 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 382.47 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 134561023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).