5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine

C10H13FN6 — CID 143440206

IUPAC5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(N2CCC(N)C2)nc2c(F)cnn12
InChIInChI=1S/C10H13FN6/c11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h3-4,6H,1-2,5,12-13H2
InChIKeyUAELNSUOGFTSHI-UHFFFAOYSA-N
MW236.25 g/mol
LogP-0.01
Rot. Bonds1

About 5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine

5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143440206) has the molecular formula C10H13FN6 and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143440206
Molecular FormulaC10H13FN6
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(N2CCC(N)C2)nc2c(F)cnn12
InChIInChI=1S/C10H13FN6/c11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h3-4,6H,1-2,5,12-13H2
InChIKeyUAELNSUOGFTSHI-UHFFFAOYSA-N
XLogP-0.01
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine (CID 143440206) is 5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(N2CCC(N)C2)nc2c(F)cnn12.
What is the InChIKey of 5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UAELNSUOGFTSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6/c11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h3-4,6H,1-2,5,12-13H2.
What are the key properties of 5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 236.25 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopyrrolidin-1-yl)-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143440206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).