N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C20H26N6 — CID 56903299

IUPACN-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCCC2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C20H26N6/c1-15-23-19(18-12-22-25(2)20(18)24-15)21-10-8-17-9-11-26(14-17)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,21,23,24)
InChIKeyRMNJZJVNMBUDSG-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56903299) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56903299
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC NameN-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCCC2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C20H26N6/c1-15-23-19(18-12-22-25(2)20(18)24-15)21-10-8-17-9-11-26(14-17)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,21,23,24)
InChIKeyRMNJZJVNMBUDSG-UHFFFAOYSA-N
XLogP3.00
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72853746
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95219752
4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 139027454
N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119039115
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
CID 45228205
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506217
1-benzyl-3-propylpyrrolidine
CID 12648211
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 99937090
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
N-benzyl-1-methyl-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 8547227
1-benzyl-3-ethylpyrrolidine
CID 12648208
3-(1-benzylpyrrolidin-3-yl)propanenitrile
CID 83909920

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56903299) is N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NCCC2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1.
What is the InChIKey of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RMNJZJVNMBUDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-15-23-19(18-12-22-25(2)20(18)24-15)21-10-8-17-9-11-26(14-17)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,21,23,24).
What are the key properties of N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 350.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56903299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).