8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine

C9H8N6O — CID 114608408

IUPAC8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
SMILESCc1ncoc1-c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C9H8N6O/c1-4-6(16-3-13-4)9-14-5-7(10)11-2-12-8(5)15-9/h2-3H,1H3,(H3,10,11,12,14,15)
InChIKeyPWFOHUMHAWVYND-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.90
Rot. Bonds1

About 8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine

8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine (PubChem CID 114608408) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
PubChem CID114608408
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
SMILESCc1ncoc1-c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C9H8N6O/c1-4-6(16-3-13-4)9-14-5-7(10)11-2-12-8(5)15-9/h2-3H,1H3,(H3,10,11,12,14,15)
InChIKeyPWFOHUMHAWVYND-UHFFFAOYSA-N
XLogP0.90
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308
8-(2-bromofuran-3-yl)-7H-purin-6-amine
CID 106854955
8-(3-methylthiophen-2-yl)-7H-purin-6-amine
CID 114608303
8-(4-amino-3-methylphenyl)-7H-purin-6-amine
CID 114608073
8-(3-iodophenyl)-7H-purin-6-amine
CID 114608191
8-methylsulfanyl-7H-purin-6-amine
CID 935524
8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine
CID 137003605
8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
CID 114608330
8-(5-chlorofuran-2-yl)-7H-purin-6-amine
CID 106688338
6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one
CID 114040234
7H-purine-6,8-diamine;dihydrochloride
CID 45264504
8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine
CID 114608321

Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine?
The IUPAC name of 8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine (CID 114608408) is 8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine is Cc1ncoc1-c1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine?
The InChIKey is PWFOHUMHAWVYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c1-4-6(16-3-13-4)9-14-5-7(10)11-2-12-8(5)15-9/h2-3H,1H3,(H3,10,11,12,14,15).
What are the key properties of 8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine?
8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine has a molecular weight of 216.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine is sourced from PubChem (CID 114608408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).