6-methoxy-8-methyl-7H-purin-2-amine

C7H9N5O — CID 82409699

IUPAC6-methoxy-8-methyl-7H-purin-2-amine
SMILESCOc1nc(N)nc2nc(C)[nH]c12
InChIInChI=1S/C7H9N5O/c1-3-9-4-5(10-3)11-7(8)12-6(4)13-2/h1-2H3,(H3,8,9,10,11,12)
InChIKeyXLYULKPQGWDTEV-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.25
Rot. Bonds1

About 6-methoxy-8-methyl-7H-purin-2-amine

6-methoxy-8-methyl-7H-purin-2-amine (PubChem CID 82409699) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-methoxy-8-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-methoxy-8-methyl-7H-purin-2-amine
PubChem CID82409699
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name6-methoxy-8-methyl-7H-purin-2-amine
SMILESCOc1nc(N)nc2nc(C)[nH]c12
InChIInChI=1S/C7H9N5O/c1-3-9-4-5(10-3)11-7(8)12-6(4)13-2/h1-2H3,(H3,8,9,10,11,12)
InChIKeyXLYULKPQGWDTEV-UHFFFAOYSA-N
XLogP0.25
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-7H-purine-2,8-diamine
CID 70356487
[2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
CID 66997873
2-amino-4-methoxy-6-methylpyrimidine-5-selenol
CID 154295666
(2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium
CID 139950197
(2,8-diamino-7H-purin-6-yl)methanol
CID 45120876
4-methoxy-1H-imidazole-2,5-diamine
CID 69334697
4-methoxy-6-(4-methylphenyl)pteridin-2-amine
CID 141068601
2,8-dimethyl-6-phenylmethoxy-7H-purine
CID 22960895
6-methoxy-4-N-methylpyrimidine-2,4,5-triamine
CID 89207307
4,6-dimethoxy-2-methylpyrimidin-5-amine
CID 21239200
6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine
CID 106669246
6-(2,3-dimethylphenoxy)-7H-purin-2-amine
CID 114787154

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-methyl-7H-purin-2-amine?
The IUPAC name of 6-methoxy-8-methyl-7H-purin-2-amine (CID 82409699) is 6-methoxy-8-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-methoxy-8-methyl-7H-purin-2-amine?
The canonical SMILES for 6-methoxy-8-methyl-7H-purin-2-amine is COc1nc(N)nc2nc(C)[nH]c12.
What is the InChIKey of 6-methoxy-8-methyl-7H-purin-2-amine?
The InChIKey is XLYULKPQGWDTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-3-9-4-5(10-3)11-7(8)12-6(4)13-2/h1-2H3,(H3,8,9,10,11,12).
What are the key properties of 6-methoxy-8-methyl-7H-purin-2-amine?
6-methoxy-8-methyl-7H-purin-2-amine has a molecular weight of 179.18 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-methyl-7H-purin-2-amine is sourced from PubChem (CID 82409699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).