N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C14H14N4S — CID 115372397

IUPACN-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(SCCNc2ccn3nccc3n2)cc1
InChIInChI=1S/C14H14N4S/c1-2-4-12(5-3-1)19-11-9-15-13-7-10-18-14(17-13)6-8-16-18/h1-8,10H,9,11H2,(H,15,17)
InChIKeyDUGPDYXFNNVORG-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.93
Rot. Bonds5

About N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372397) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372397
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(SCCNc2ccn3nccc3n2)cc1
InChIInChI=1S/C14H14N4S/c1-2-4-12(5-3-1)19-11-9-15-13-7-10-18-14(17-13)6-8-16-18/h1-8,10H,9,11H2,(H,15,17)
InChIKeyDUGPDYXFNNVORG-UHFFFAOYSA-N
XLogP2.93
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 115372397) is N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1ccc(SCCNc2ccn3nccc3n2)cc1.
What is the InChIKey of N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is DUGPDYXFNNVORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-4-12(5-3-1)19-11-9-15-13-7-10-18-14(17-13)6-8-16-18/h1-8,10H,9,11H2,(H,15,17).
What are the key properties of N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 270.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).