4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine

C14H21N5 — CID 136525360

IUPAC4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCCC1CCCCN1c1nc(C)nc2c1cnn2C
InChIInChI=1S/C14H21N5/c1-4-11-7-5-6-8-19(11)14-12-9-15-18(3)13(12)16-10(2)17-14/h9,11H,4-8H2,1-3H3
InChIKeyAFYXPAOCKWBQDW-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.44
Rot. Bonds2

About 4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine

4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine (PubChem CID 136525360) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
PubChem CID136525360
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCCC1CCCCN1c1nc(C)nc2c1cnn2C
InChIInChI=1S/C14H21N5/c1-4-11-7-5-6-8-19(11)14-12-9-15-18(3)13(12)16-10(2)17-14/h9,11H,4-8H2,1-3H3
InChIKeyAFYXPAOCKWBQDW-UHFFFAOYSA-N
XLogP2.44
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine (CID 136525360) is 4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine is CCC1CCCCN1c1nc(C)nc2c1cnn2C.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is AFYXPAOCKWBQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-11-7-5-6-8-19(11)14-12-9-15-18(3)13(12)16-10(2)17-14/h9,11H,4-8H2,1-3H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 259.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 136525360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).