N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine

C10H14N4S — CID 115372575

IUPACN-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCSCCCNc1ccn2nccc2n1
InChIInChI=1S/C10H14N4S/c1-15-8-2-5-11-9-4-7-14-10(13-9)3-6-12-14/h3-4,6-7H,2,5,8H2,1H3,(H,11,13)
InChIKeyHCWFDGONUFOUOW-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.89
Rot. Bonds5

About N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372575) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372575
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCSCCCNc1ccn2nccc2n1
InChIInChI=1S/C10H14N4S/c1-15-8-2-5-11-9-4-7-14-10(13-9)3-6-12-14/h3-4,6-7H,2,5,8H2,1H3,(H,11,13)
InChIKeyHCWFDGONUFOUOW-UHFFFAOYSA-N
XLogP1.89
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.89
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-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 115372575) is N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine is CSCCCNc1ccn2nccc2n1.
What is the InChIKey of N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is HCWFDGONUFOUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-15-8-2-5-11-9-4-7-14-10(13-9)3-6-12-14/h3-4,6-7H,2,5,8H2,1H3,(H,11,13).
What are the key properties of N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 222.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).