methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate

C7H7BrN4O2S — CID 145499533

IUPACmethyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate
SMILESCOS(=O)c1cc(N)nc2c(Br)cnn12
InChIInChI=1S/C7H7BrN4O2S/c1-14-15(13)6-2-5(9)11-7-4(8)3-10-12(6)7/h2-3H,1H3,(H2,9,11)
InChIKeyLOWARWAYGPTLOH-UHFFFAOYSA-N
MW291.13 g/mol
LogP0.74
Rot. Bonds2

About methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate

methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate (PubChem CID 145499533) has the molecular formula C7H7BrN4O2S and a molecular weight of 291.13 g/mol. Its IUPAC name is methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate.

Molecular Properties

Compound Namemethyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate
PubChem CID145499533
Molecular FormulaC7H7BrN4O2S
Molecular Weight291.13 g/mol
Exact Mass289.95
IUPAC Namemethyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate
SMILESCOS(=O)c1cc(N)nc2c(Br)cnn12
InChIInChI=1S/C7H7BrN4O2S/c1-14-15(13)6-2-5(9)11-7-4(8)3-10-12(6)7/h2-3H,1H3,(H2,9,11)
InChIKeyLOWARWAYGPTLOH-UHFFFAOYSA-N
XLogP0.74
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate?
The IUPAC name of methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate (CID 145499533) is methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate.
What is the SMILES notation for methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate?
The canonical SMILES for methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate is COS(=O)c1cc(N)nc2c(Br)cnn12.
What is the InChIKey of methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate?
The InChIKey is LOWARWAYGPTLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O2S/c1-14-15(13)6-2-5(9)11-7-4(8)3-10-12(6)7/h2-3H,1H3,(H2,9,11).
What are the key properties of methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate?
methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate has a molecular weight of 291.13 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate is sourced from PubChem (CID 145499533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).