1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C15H17N5 — CID 10492061

IUPAC1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C15H17N5/c1-15(2,3)20-14-11(13(16)17-9-18-14)12(19-20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyMVIHEGXCXLFEMC-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.83
Rot. Bonds1

About 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 10492061) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID10492061
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C15H17N5/c1-15(2,3)20-14-11(13(16)17-9-18-14)12(19-20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyMVIHEGXCXLFEMC-UHFFFAOYSA-N
XLogP2.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.83
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-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 10492061) is 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc21.
What is the InChIKey of 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MVIHEGXCXLFEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-15(2,3)20-14-11(13(16)17-9-18-14)12(19-20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18).
What are the key properties of 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.83, 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-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 10492061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).