ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate

C11H15N5O2 — CID 118732283

IUPACethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N)nc2nn(C(C)C)cc12
InChIInChI=1S/C11H15N5O2/c1-4-18-10(17)8-7-5-16(6(2)3)15-9(7)14-11(12)13-8/h5-6H,4H2,1-3H3,(H2,12,14,15)
InChIKeyBCFHRMXGMCOZQX-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.17
Rot. Bonds3

About ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate

ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate (PubChem CID 118732283) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
PubChem CID118732283
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Nameethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N)nc2nn(C(C)C)cc12
InChIInChI=1S/C11H15N5O2/c1-4-18-10(17)8-7-5-16(6(2)3)15-9(7)14-11(12)13-8/h5-6H,4H2,1-3H3,(H2,12,14,15)
InChIKeyBCFHRMXGMCOZQX-UHFFFAOYSA-N
XLogP1.17
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate (CID 118732283) is ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate is CCOC(=O)c1nc(N)nc2nn(C(C)C)cc12.
What is the InChIKey of ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate?
The InChIKey is BCFHRMXGMCOZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-4-18-10(17)8-7-5-16(6(2)3)15-9(7)14-11(12)13-8/h5-6H,4H2,1-3H3,(H2,12,14,15).
What are the key properties of ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate?
ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 118732283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).