2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine

C8H9BrN4S — CID 90448234

IUPAC2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine
SMILESNCCSc1ccn2ncc(Br)c2n1
InChIInChI=1S/C8H9BrN4S/c9-6-5-11-13-3-1-7(12-8(6)13)14-4-2-10/h1,3,5H,2,4,10H2
InChIKeyPEHKJFGQSFIDEH-UHFFFAOYSA-N
MW273.16 g/mol
LogP1.54
Rot. Bonds3

About 2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine

2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine (PubChem CID 90448234) has the molecular formula C8H9BrN4S and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine
PubChem CID90448234
Molecular FormulaC8H9BrN4S
Molecular Weight273.16 g/mol
Exact Mass271.97
IUPAC Name2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine
SMILESNCCSc1ccn2ncc(Br)c2n1
InChIInChI=1S/C8H9BrN4S/c9-6-5-11-13-3-1-7(12-8(6)13)14-4-2-10/h1,3,5H,2,4,10H2
InChIKeyPEHKJFGQSFIDEH-UHFFFAOYSA-N
XLogP1.54
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol
CID 130354106
3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 167934366
3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 167886338
tert-butyl 5-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-2,5-diazabicyclo[4.1.0]heptane-2-carboxylate
CID 167436672
3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 151211392
4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 167992321
3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
CID 67034379
(4S)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
CID 67034378
3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 138690062
3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167939194
3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 67034416
2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
CID 167987407

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine?
The IUPAC name of 2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine (CID 90448234) is 2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine.
What is the SMILES notation for 2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine?
The canonical SMILES for 2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine is NCCSc1ccn2ncc(Br)c2n1.
What is the InChIKey of 2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine?
The InChIKey is PEHKJFGQSFIDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S/c9-6-5-11-13-3-1-7(12-8(6)13)14-4-2-10/h1,3,5H,2,4,10H2.
What are the key properties of 2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine?
2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine has a molecular weight of 273.16 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine is sourced from PubChem (CID 90448234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).