9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine

C17H23N7 — CID 124735733

IUPAC9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine
SMILESCCn1cnc2c(N3CCC[C@@H]3c3c(C)nn(C)c3C)ncnc21
InChIInChI=1S/C17H23N7/c1-5-23-10-20-15-16(23)18-9-19-17(15)24-8-6-7-13(24)14-11(2)21-22(4)12(14)3/h9-10,13H,5-8H2,1-4H3/t13-/m1/s1
InChIKeyNUZROSDGWKPLLN-CYBMUJFWSA-N
MW325.42 g/mol
LogP2.54
Rot. Bonds3

About 9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine

9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine (PubChem CID 124735733) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine.

Molecular Properties

Compound Name9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine
PubChem CID124735733
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine
SMILESCCn1cnc2c(N3CCC[C@@H]3c3c(C)nn(C)c3C)ncnc21
InChIInChI=1S/C17H23N7/c1-5-23-10-20-15-16(23)18-9-19-17(15)24-8-6-7-13(24)14-11(2)21-22(4)12(14)3/h9-10,13H,5-8H2,1-4H3/t13-/m1/s1
InChIKeyNUZROSDGWKPLLN-CYBMUJFWSA-N
XLogP2.54
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine?
The IUPAC name of 9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine (CID 124735733) is 9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine.
What is the SMILES notation for 9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine?
The canonical SMILES for 9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine is CCn1cnc2c(N3CCC[C@@H]3c3c(C)nn(C)c3C)ncnc21.
What is the InChIKey of 9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine?
The InChIKey is NUZROSDGWKPLLN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N7/c1-5-23-10-20-15-16(23)18-9-19-17(15)24-8-6-7-13(24)14-11(2)21-22(4)12(14)3/h9-10,13H,5-8H2,1-4H3/t13-/m1/s1.
What are the key properties of 9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine?
9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine has a molecular weight of 325.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine is sourced from PubChem (CID 124735733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).