1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H19N5 — CID 5059890

IUPAC1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21
InChIInChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22)
InChIKeyILKDWZKZLIHMFM-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.98
Rot. Bonds1

About 1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 5059890) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID5059890
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21
InChIInChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22)
InChIKeyILKDWZKZLIHMFM-UHFFFAOYSA-N
XLogP3.98
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 5059890) is 1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21.
What is the InChIKey of 1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ILKDWZKZLIHMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22).
What are the key properties of 1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 5059890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).