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

C16H18N6S — CID 143440096

IUPAC5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(N2CCC(N)C2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C16H18N6S/c17-11-6-7-21(10-11)15-8-14(18)22-16(20-15)13(9-19-22)23-12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10,17-18H2
InChIKeySJBDKSXOSJQFRS-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.00
Rot. Bonds3

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

5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143440096) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143440096
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(N2CCC(N)C2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C16H18N6S/c17-11-6-7-21(10-11)15-8-14(18)22-16(20-15)13(9-19-22)23-12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10,17-18H2
InChIKeySJBDKSXOSJQFRS-UHFFFAOYSA-N
XLogP2.00
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine (CID 143440096) is 5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(N2CCC(N)C2)nc2c(Sc3ccccc3)cnn12.
What is the InChIKey of 5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SJBDKSXOSJQFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c17-11-6-7-21(10-11)15-8-14(18)22-16(20-15)13(9-19-22)23-12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10,17-18H2.
What are the key properties of 5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 326.43 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143440096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).