8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine

C10H11N7 — CID 137003605

IUPAC8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine
SMILESCc1cc(-c2nc3ncnc(N)c3[nH]2)n(C)n1
InChIInChI=1S/C10H11N7/c1-5-3-6(17(2)16-5)9-14-7-8(11)12-4-13-10(7)15-9/h3-4H,1-2H3,(H3,11,12,13,14,15)
InChIKeyDKBDGRMQTHZACS-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.64
Rot. Bonds1

About 8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine

8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine (PubChem CID 137003605) has the molecular formula C10H11N7 and a molecular weight of 229.25 g/mol. Its IUPAC name is 8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine
PubChem CID137003605
Molecular FormulaC10H11N7
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine
SMILESCc1cc(-c2nc3ncnc(N)c3[nH]2)n(C)n1
InChIInChI=1S/C10H11N7/c1-5-3-6(17(2)16-5)9-14-7-8(11)12-4-13-10(7)15-9/h3-4H,1-2H3,(H3,11,12,13,14,15)
InChIKeyDKBDGRMQTHZACS-UHFFFAOYSA-N
XLogP0.64
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,5-dimethylpyrazol-3-yl)-7H-purine
CID 136989215
8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308
8-(1-methylindazol-3-yl)-7H-purin-6-amine
CID 136785887
8-(4-amino-3-methylphenyl)-7H-purin-6-amine
CID 114608073
8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
CID 114608408
8-(3-methylthiophen-2-yl)-7H-purin-6-amine
CID 114608303
8-methylsulfanyl-7H-purin-6-amine
CID 935524
8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine
CID 114608321
6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one
CID 114040234
8-(5-chlorofuran-2-yl)-7H-purin-6-amine
CID 106688338
8-(2-bromofuran-3-yl)-7H-purin-6-amine
CID 106854955
7H-purine-6,8-diamine;dihydrochloride
CID 45264504

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine?
The IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine (CID 137003605) is 8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine is Cc1cc(-c2nc3ncnc(N)c3[nH]2)n(C)n1.
What is the InChIKey of 8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine?
The InChIKey is DKBDGRMQTHZACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7/c1-5-3-6(17(2)16-5)9-14-7-8(11)12-4-13-10(7)15-9/h3-4H,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine?
8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine has a molecular weight of 229.25 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine is sourced from PubChem (CID 137003605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).