1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

C13H20N6 — CID 50795315

IUPAC1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(N2CCCC2)nc2c1cnn2C
InChIInChI=1S/C13H20N6/c1-3-6-14-11-10-9-15-18(2)12(10)17-13(16-11)19-7-4-5-8-19/h9H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyKBNPQINGOGYETR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.79
Rot. Bonds4

About 1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 50795315) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID50795315
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(N2CCCC2)nc2c1cnn2C
InChIInChI=1S/C13H20N6/c1-3-6-14-11-10-9-15-18(2)12(10)17-13(16-11)19-7-4-5-8-19/h9H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyKBNPQINGOGYETR-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 50795315) is 1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCCNc1nc(N2CCCC2)nc2c1cnn2C.
What is the InChIKey of 1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KBNPQINGOGYETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-6-14-11-10-9-15-18(2)12(10)17-13(16-11)19-7-4-5-8-19/h9H,3-8H2,1-2H3,(H,14,16,17).
What are the key properties of 1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 50795315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).