3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C9H11BrN4 — CID 16666505

IUPAC3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2c(Br)cnn2c1N
InChIInChI=1S/C9H11BrN4/c1-3-6-5(2)13-9-7(10)4-12-14(9)8(6)11/h4H,3,11H2,1-2H3
InChIKeyZONJWDXNZZASHJ-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.94
Rot. Bonds1

About 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 16666505) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID16666505
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2c(Br)cnn2c1N
InChIInChI=1S/C9H11BrN4/c1-3-6-5(2)13-9-7(10)4-12-14(9)8(6)11/h4H,3,11H2,1-2H3
InChIKeyZONJWDXNZZASHJ-UHFFFAOYSA-N
XLogP1.94
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine
CID 71055249
7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 104621763
3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 71200477
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
ethyl 2-[3-bromo-5-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pentanoate
CID 67258675
ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57387343
2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158266002
3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
CID 104617901
methyl 5-amino-3-bromopyrazolo[1,5-a]pyrimidine-7-sulfinate
CID 145499533
8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine
CID 12916120
5-ethyl-4,6-dimethylpyridin-2-amine
CID 45079042
7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274393

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 16666505) is 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1c(C)nc2c(Br)cnn2c1N.
What is the InChIKey of 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZONJWDXNZZASHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-3-6-5(2)13-9-7(10)4-12-14(9)8(6)11/h4H,3,11H2,1-2H3.
What are the key properties of 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 255.12 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 16666505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).