6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine

C10H10BrN7 — CID 114786682

IUPAC6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine
SMILESCc1nn(-c2nc(N)nc3nc[nH]c23)c(C)c1Br
InChIInChI=1S/C10H10BrN7/c1-4-6(11)5(2)18(17-4)9-7-8(14-3-13-7)15-10(12)16-9/h3H,1-2H3,(H3,12,13,14,15,16)
InChIKeyHRGYABGPJCDZEL-UHFFFAOYSA-N
MW308.14 g/mol
LogP1.50
Rot. Bonds1

About 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine

6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine (PubChem CID 114786682) has the molecular formula C10H10BrN7 and a molecular weight of 308.14 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine
PubChem CID114786682
Molecular FormulaC10H10BrN7
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Name6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine
SMILESCc1nn(-c2nc(N)nc3nc[nH]c23)c(C)c1Br
InChIInChI=1S/C10H10BrN7/c1-4-6(11)5(2)18(17-4)9-7-8(14-3-13-7)15-10(12)16-9/h3H,1-2H3,(H3,12,13,14,15,16)
InChIKeyHRGYABGPJCDZEL-UHFFFAOYSA-N
XLogP1.50
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methylpyrazol-1-yl)-7H-purin-2-amine
CID 114786706
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
CID 80856780
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
CID 114749498
4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
CID 168700963
2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine
CID 62129713
6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine
CID 114788402
5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine
CID 79521441
6-(4-chloropyrazol-1-yl)-7H-purin-2-amine
CID 114786662
1-(2-amino-7H-purin-6-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505942

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine?
The IUPAC name of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine (CID 114786682) is 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine?
The canonical SMILES for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine is Cc1nn(-c2nc(N)nc3nc[nH]c23)c(C)c1Br.
What is the InChIKey of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine?
The InChIKey is HRGYABGPJCDZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN7/c1-4-6(11)5(2)18(17-4)9-7-8(14-3-13-7)15-10(12)16-9/h3H,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine?
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine has a molecular weight of 308.14 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine is sourced from PubChem (CID 114786682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).