N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine

C15H21N7 — CID 70740430

IUPACN-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nccn1CCNc1nc(C)nc2c1c(C)nn2C
InChIInChI=1S/C15H21N7/c1-5-12-16-6-8-22(12)9-7-17-14-13-10(2)20-21(4)15(13)19-11(3)18-14/h6,8H,5,7,9H2,1-4H3,(H,17,18,19)
InChIKeyZRCODSNHSJOJMQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.85
Rot. Bonds5

About N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70740430) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70740430
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nccn1CCNc1nc(C)nc2c1c(C)nn2C
InChIInChI=1S/C15H21N7/c1-5-12-16-6-8-22(12)9-7-17-14-13-10(2)20-21(4)15(13)19-11(3)18-14/h6,8H,5,7,9H2,1-4H3,(H,17,18,19)
InChIKeyZRCODSNHSJOJMQ-UHFFFAOYSA-N
XLogP1.85
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70740430) is N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1nccn1CCNc1nc(C)nc2c1c(C)nn2C.
What is the InChIKey of N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZRCODSNHSJOJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-5-12-16-6-8-22(12)9-7-17-14-13-10(2)20-21(4)15(13)19-11(3)18-14/h6,8H,5,7,9H2,1-4H3,(H,17,18,19).
What are the key properties of N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70740430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).