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

C15H17N5 — CID 711507

IUPACN-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)Nc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C15H17N5/c1-15(2,3)19-13-12-9-18-20(14(12)17-10-16-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17,19)
InChIKeyXZUAMWUIKKNSDI-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.03
Rot. Bonds2

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

N-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 711507) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID711507
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)Nc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C15H17N5/c1-15(2,3)19-13-12-9-18-20(14(12)17-10-16-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17,19)
InChIKeyXZUAMWUIKKNSDI-UHFFFAOYSA-N
XLogP3.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 711507) is N-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)Nc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XZUAMWUIKKNSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-15(2,3)19-13-12-9-18-20(14(12)17-10-16-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17,19).
What are the key properties of N-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 711507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).