6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C9H11BrN4O — CID 82625684

IUPAC6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(Br)c[nH]n2c(=O)c1CCN
InChIInChI=1S/C9H11BrN4O/c1-5-6(2-3-11)9(15)14-8(13-5)7(10)4-12-14/h4,12H,2-3,11H2,1H3
InChIKeyYWZRDOLPMSXSPF-UHFFFAOYSA-N
MW271.12 g/mol
LogP0.59
Rot. Bonds2

About 6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82625684) has the molecular formula C9H11BrN4O and a molecular weight of 271.12 g/mol. Its IUPAC name is 6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82625684
Molecular FormulaC9H11BrN4O
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(Br)c[nH]n2c(=O)c1CCN
InChIInChI=1S/C9H11BrN4O/c1-5-6(2-3-11)9(15)14-8(13-5)7(10)4-12-14/h4,12H,2-3,11H2,1H3
InChIKeyYWZRDOLPMSXSPF-UHFFFAOYSA-N
XLogP0.59
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82625684) is 6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(Br)c[nH]n2c(=O)c1CCN.
What is the InChIKey of 6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YWZRDOLPMSXSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O/c1-5-6(2-3-11)9(15)14-8(13-5)7(10)4-12-14/h4,12H,2-3,11H2,1H3.
What are the key properties of 6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 271.12 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82625684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).