N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine

C21H28N6 — CID 133473317

IUPACN-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1CN(Cc2ccccc2)CC1Nc1ncnc2c1cnn2C(C)(C)C
InChIInChI=1S/C21H28N6/c1-15-11-26(12-16-8-6-5-7-9-16)13-18(15)25-19-17-10-24-27(21(2,3)4)20(17)23-14-22-19/h5-10,14-15,18H,11-13H2,1-4H3,(H,22,23,25)
InChIKeyZQQINFPFWXVCBP-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.51
Rot. Bonds4

About N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine

N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133473317) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133473317
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC NameN-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1CN(Cc2ccccc2)CC1Nc1ncnc2c1cnn2C(C)(C)C
InChIInChI=1S/C21H28N6/c1-15-11-26(12-16-8-6-5-7-9-16)13-18(15)25-19-17-10-24-27(21(2,3)4)20(17)23-14-22-19/h5-10,14-15,18H,11-13H2,1-4H3,(H,22,23,25)
InChIKeyZQQINFPFWXVCBP-UHFFFAOYSA-N
XLogP3.51
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine (CID 133473317) is N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine is CC1CN(Cc2ccccc2)CC1Nc1ncnc2c1cnn2C(C)(C)C.
What is the InChIKey of N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZQQINFPFWXVCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-15-11-26(12-16-8-6-5-7-9-16)13-18(15)25-19-17-10-24-27(21(2,3)4)20(17)23-14-22-19/h5-10,14-15,18H,11-13H2,1-4H3,(H,22,23,25).
What are the key properties of N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 364.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133473317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).