1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine

C20H28N6 — CID 133435832

IUPAC1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
SMILESCC(CN(C)Cc1ccccc1)Nc1ncnc2c1cnn2C(C)(C)C
InChIInChI=1S/C20H28N6/c1-15(12-25(5)13-16-9-7-6-8-10-16)24-18-17-11-23-26(20(2,3)4)19(17)22-14-21-18/h6-11,14-15H,12-13H2,1-5H3,(H,21,22,24)
InChIKeyLIRMBHQSZDWANH-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.51
Rot. Bonds6

About 1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine

1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine (PubChem CID 133435832) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
PubChem CID133435832
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
SMILESCC(CN(C)Cc1ccccc1)Nc1ncnc2c1cnn2C(C)(C)C
InChIInChI=1S/C20H28N6/c1-15(12-25(5)13-16-9-7-6-8-10-16)24-18-17-11-23-26(20(2,3)4)19(17)22-14-21-18/h6-11,14-15H,12-13H2,1-5H3,(H,21,22,24)
InChIKeyLIRMBHQSZDWANH-UHFFFAOYSA-N
XLogP3.51
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine (CID 133435832) is 1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine is CC(CN(C)Cc1ccccc1)Nc1ncnc2c1cnn2C(C)(C)C.
What is the InChIKey of 1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
The InChIKey is LIRMBHQSZDWANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-15(12-25(5)13-16-9-7-6-8-10-16)24-18-17-11-23-26(20(2,3)4)19(17)22-14-21-18/h6-11,14-15H,12-13H2,1-5H3,(H,21,22,24).
What are the key properties of 1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine has a molecular weight of 352.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 133435832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).