3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C11H16N6 — CID 123186043

IUPAC3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nn(C2CCNC2)c2ncnc(N)c12
InChIInChI=1S/C11H16N6/c1-2-8-9-10(12)14-6-15-11(9)17(16-8)7-3-4-13-5-7/h6-7,13H,2-5H2,1H3,(H2,12,14,15)
InChIKeyNWEGYTORQJBJPG-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.51
Rot. Bonds2

About 3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 123186043) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID123186043
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nn(C2CCNC2)c2ncnc(N)c12
InChIInChI=1S/C11H16N6/c1-2-8-9-10(12)14-6-15-11(9)17(16-8)7-3-4-13-5-7/h6-7,13H,2-5H2,1H3,(H2,12,14,15)
InChIKeyNWEGYTORQJBJPG-UHFFFAOYSA-N
XLogP0.51
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethoxyphenoxy)methyl]-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 175458787
4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
CID 91560998
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 126509833
1-[3-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 135219177
N-[3-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]prop-2-ynyl]benzenesulfonamide
CID 141496791
N-[3-(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)prop-2-ynyl]benzenesulfonamide
CID 175019983
3-(4-methoxyphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 71514022
1-[1-(azetidin-3-yl)piperidin-4-yl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166940800
1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56944275
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 123186043) is 3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1nn(C2CCNC2)c2ncnc(N)c12.
What is the InChIKey of 3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NWEGYTORQJBJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-2-8-9-10(12)14-6-15-11(9)17(16-8)7-3-4-13-5-7/h6-7,13H,2-5H2,1H3,(H2,12,14,15).
What are the key properties of 3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 123186043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).