N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C13H20N6 — CID 63220563

IUPACN-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCCC2)nc2c1cnn2C
InChIInChI=1S/C13H20N6/c1-3-14-12-10-8-15-18(2)13(10)17-11(16-12)9-19-6-4-5-7-19/h8H,3-7,9H2,1-2H3,(H,14,16,17)
InChIKeyWBNKUWGVGLMGEQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.39
Rot. Bonds4

About N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220563) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220563
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCCC2)nc2c1cnn2C
InChIInChI=1S/C13H20N6/c1-3-14-12-10-8-15-18(2)13(10)17-11(16-12)9-19-6-4-5-7-19/h8H,3-7,9H2,1-2H3,(H,14,16,17)
InChIKeyWBNKUWGVGLMGEQ-UHFFFAOYSA-N
XLogP1.39
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 63220563) is N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCNc1nc(CN2CCCC2)nc2c1cnn2C.
What is the InChIKey of N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WBNKUWGVGLMGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-14-12-10-8-15-18(2)13(10)17-11(16-12)9-19-6-4-5-7-19/h8H,3-7,9H2,1-2H3,(H,14,16,17).
What are the key properties of N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).