6-(3-methylpyrazol-1-yl)-7H-purin-2-amine

C9H9N7 — CID 114786706

IUPAC6-(3-methylpyrazol-1-yl)-7H-purin-2-amine
SMILESCc1ccn(-c2nc(N)nc3nc[nH]c23)n1
InChIInChI=1S/C9H9N7/c1-5-2-3-16(15-5)8-6-7(12-4-11-6)13-9(10)14-8/h2-4H,1H3,(H3,10,11,12,13,14)
InChIKeyUZTXURSXWDICJW-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.43
Rot. Bonds1

About 6-(3-methylpyrazol-1-yl)-7H-purin-2-amine

6-(3-methylpyrazol-1-yl)-7H-purin-2-amine (PubChem CID 114786706) has the molecular formula C9H9N7 and a molecular weight of 215.22 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-7H-purin-2-amine
PubChem CID114786706
Molecular FormulaC9H9N7
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name6-(3-methylpyrazol-1-yl)-7H-purin-2-amine
SMILESCc1ccn(-c2nc(N)nc3nc[nH]c23)n1
InChIInChI=1S/C9H9N7/c1-5-2-3-16(15-5)8-6-7(12-4-11-6)13-9(10)14-8/h2-4H,1H3,(H3,10,11,12,13,14)
InChIKeyUZTXURSXWDICJW-UHFFFAOYSA-N
XLogP0.43
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloropyrazol-1-yl)-7H-purin-2-amine
CID 114786662
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine
CID 114786682
1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile
CID 114052461
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine
CID 114786674
6-methyl-4-(3-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331102
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
6-(1-amino-2-methylpropyl)-7H-purin-2-amine
CID 174749198
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-7H-purin-2-amine?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-7H-purin-2-amine (CID 114786706) is 6-(3-methylpyrazol-1-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-7H-purin-2-amine?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-7H-purin-2-amine is Cc1ccn(-c2nc(N)nc3nc[nH]c23)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-7H-purin-2-amine?
The InChIKey is UZTXURSXWDICJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7/c1-5-2-3-16(15-5)8-6-7(12-4-11-6)13-9(10)14-8/h2-4H,1H3,(H3,10,11,12,13,14).
What are the key properties of 6-(3-methylpyrazol-1-yl)-7H-purin-2-amine?
6-(3-methylpyrazol-1-yl)-7H-purin-2-amine has a molecular weight of 215.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-7H-purin-2-amine is sourced from PubChem (CID 114786706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).