6-methoxy-3-methyl-2,7-dihydropurin-2-amine

C7H11N5O — CID 57029341

IUPAC6-methoxy-3-methyl-2,7-dihydropurin-2-amine
SMILESCOC1=NC(N)N(C)c2nc[nH]c21
InChIInChI=1S/C7H11N5O/c1-12-5-4(9-3-10-5)6(13-2)11-7(12)8/h3,7H,8H2,1-2H3,(H,9,10)
InChIKeyQGIQNAIBQZHCNN-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.51
Rot. Bonds

About 6-methoxy-3-methyl-2,7-dihydropurin-2-amine

6-methoxy-3-methyl-2,7-dihydropurin-2-amine (PubChem CID 57029341) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 6-methoxy-3-methyl-2,7-dihydropurin-2-amine.

Molecular Properties

Compound Name6-methoxy-3-methyl-2,7-dihydropurin-2-amine
PubChem CID57029341
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name6-methoxy-3-methyl-2,7-dihydropurin-2-amine
SMILESCOC1=NC(N)N(C)c2nc[nH]c21
InChIInChI=1S/C7H11N5O/c1-12-5-4(9-3-10-5)6(13-2)11-7(12)8/h3,7H,8H2,1-2H3,(H,9,10)
InChIKeyQGIQNAIBQZHCNN-UHFFFAOYSA-N
XLogP-0.51
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-6,7-dihydro-3H-purin-2-amine
CID 14795176
4-(methoxymethyl)-5-methyl-3H-imidazole
CID 12362436
N-6-methyl mucronatine
CID 137177510
2-Aminodioxypurin
CID 129637680
Methyl 5-aminoimidazole-4-thiocarboxylate
CID 129781387
1-Methyl-4-amino-5-(oxazolin-2-yl)imidazole
CID 129797621
4-Amino-5-(oxazolin-2-yl)imidazole
CID 129797919
4-fluoro-5-(methoxymethyl)-1H-imidazole
CID 55288406
6-(2,2,2-Trifluoroethoxy)-3,7-dihydropurin-2-one
CID 119082940
6-methoxy-3,7-dimethyl-3,7-dihydro-2H-purin-2-one
CID 13721714
4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride
CID 12885467
6-ethoxy-6,7-dihydro-3H-purin-2-amine
CID 14795177

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-2,7-dihydropurin-2-amine?
The IUPAC name of 6-methoxy-3-methyl-2,7-dihydropurin-2-amine (CID 57029341) is 6-methoxy-3-methyl-2,7-dihydropurin-2-amine.
What is the SMILES notation for 6-methoxy-3-methyl-2,7-dihydropurin-2-amine?
The canonical SMILES for 6-methoxy-3-methyl-2,7-dihydropurin-2-amine is COC1=NC(N)N(C)c2nc[nH]c21.
What is the InChIKey of 6-methoxy-3-methyl-2,7-dihydropurin-2-amine?
The InChIKey is QGIQNAIBQZHCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12-5-4(9-3-10-5)6(13-2)11-7(12)8/h3,7H,8H2,1-2H3,(H,9,10).
What are the key properties of 6-methoxy-3-methyl-2,7-dihydropurin-2-amine?
6-methoxy-3-methyl-2,7-dihydropurin-2-amine has a molecular weight of 181.20 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-2,7-dihydropurin-2-amine is sourced from PubChem (CID 57029341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).