3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C13H19BrN4O — CID 59028544

IUPAC3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CCOC)c1cc(C)nc2c(Br)c(C)nn12
InChIInChI=1S/C13H19BrN4O/c1-5-17(6-7-19-4)11-8-9(2)15-13-12(14)10(3)16-18(11)13/h8H,5-7H2,1-4H3
InChIKeyOBDBSXJTDLVIMT-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.58
Rot. Bonds5

About 3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 59028544) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID59028544
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CCOC)c1cc(C)nc2c(Br)c(C)nn12
InChIInChI=1S/C13H19BrN4O/c1-5-17(6-7-19-4)11-8-9(2)15-13-12(14)10(3)16-18(11)13/h8H,5-7H2,1-4H3
InChIKeyOBDBSXJTDLVIMT-UHFFFAOYSA-N
XLogP2.58
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 59028544) is 3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCN(CCOC)c1cc(C)nc2c(Br)c(C)nn12.
What is the InChIKey of 3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OBDBSXJTDLVIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-5-17(6-7-19-4)11-8-9(2)15-13-12(14)10(3)16-18(11)13/h8H,5-7H2,1-4H3.
What are the key properties of 3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 327.23 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 59028544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).