9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine

C15H19FN8 — CID 123873370

IUPAC9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine
SMILESCCn1cnc2c(Nc3cn[nH]c3C)nc(N3CCC(F)C3)nc21
InChIInChI=1S/C15H19FN8/c1-3-23-8-17-12-13(19-11-6-18-22-9(11)2)20-15(21-14(12)23)24-5-4-10(16)7-24/h6,8,10H,3-5,7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyXPARQBALNCBAAN-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.17
Rot. Bonds4

About 9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine

9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine (PubChem CID 123873370) has the molecular formula C15H19FN8 and a molecular weight of 330.37 g/mol. Its IUPAC name is 9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine.

Molecular Properties

Compound Name9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine
PubChem CID123873370
Molecular FormulaC15H19FN8
Molecular Weight330.37 g/mol
Exact Mass330.17
IUPAC Name9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine
SMILESCCn1cnc2c(Nc3cn[nH]c3C)nc(N3CCC(F)C3)nc21
InChIInChI=1S/C15H19FN8/c1-3-23-8-17-12-13(19-11-6-18-22-9(11)2)20-15(21-14(12)23)24-5-4-10(16)7-24/h6,8,10H,3-5,7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyXPARQBALNCBAAN-UHFFFAOYSA-N
XLogP2.17
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine?
The IUPAC name of 9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine (CID 123873370) is 9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine.
What is the SMILES notation for 9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine?
The canonical SMILES for 9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine is CCn1cnc2c(Nc3cn[nH]c3C)nc(N3CCC(F)C3)nc21.
What is the InChIKey of 9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine?
The InChIKey is XPARQBALNCBAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN8/c1-3-23-8-17-12-13(19-11-6-18-22-9(11)2)20-15(21-14(12)23)24-5-4-10(16)7-24/h6,8,10H,3-5,7H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of 9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine?
9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine has a molecular weight of 330.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-(3-fluoropyrrolidin-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)purin-6-amine is sourced from PubChem (CID 123873370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).