ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate

C16H17N5O2 — CID 118732285

IUPACethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12
InChIInChI=1S/C16H17N5O2/c1-2-23-15(22)13-12-10-21(20-14(12)19-16(17)18-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,17,19,20)
InChIKeyRQLOGUYSNDTKSC-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.83
Rot. Bonds5

About ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate

ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate (PubChem CID 118732285) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
PubChem CID118732285
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Nameethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12
InChIInChI=1S/C16H17N5O2/c1-2-23-15(22)13-12-10-21(20-14(12)19-16(17)18-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,17,19,20)
InChIKeyRQLOGUYSNDTKSC-UHFFFAOYSA-N
XLogP1.83
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.83
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-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate (CID 118732285) is ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate is CCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12.
What is the InChIKey of ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate?
The InChIKey is RQLOGUYSNDTKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-2-23-15(22)13-12-10-21(20-14(12)19-16(17)18-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,17,19,20).
What are the key properties of ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate?
ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate has a molecular weight of 311.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 118732285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).