6-methoxy-7H-purin-1-ium-2-amine

C6H8N5O+ — CID 173027672

IUPAC6-methoxy-7H-purin-1-ium-2-amine
SMILESCOc1[nH+]c(N)nc2nc[nH]c12
InChIInChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)/p+1
InChIKeyBXJHWYVXLGLDMZ-UHFFFAOYSA-O
MW166.16 g/mol
LogP-0.64
Rot. Bonds1

About 6-methoxy-7H-purin-1-ium-2-amine

6-methoxy-7H-purin-1-ium-2-amine (PubChem CID 173027672) has the molecular formula C6H8N5O+ and a molecular weight of 166.16 g/mol. Its IUPAC name is 6-methoxy-7H-purin-1-ium-2-amine.

Molecular Properties

Compound Name6-methoxy-7H-purin-1-ium-2-amine
PubChem CID173027672
Molecular FormulaC6H8N5O+
Molecular Weight166.16 g/mol
Exact Mass166.07
IUPAC Name6-methoxy-7H-purin-1-ium-2-amine
SMILESCOc1[nH+]c(N)nc2nc[nH]c12
InChIInChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)/p+1
InChIKeyBXJHWYVXLGLDMZ-UHFFFAOYSA-O
XLogP-0.64
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7H-purin-1-ium-2-amine?
The IUPAC name of 6-methoxy-7H-purin-1-ium-2-amine (CID 173027672) is 6-methoxy-7H-purin-1-ium-2-amine.
What is the SMILES notation for 6-methoxy-7H-purin-1-ium-2-amine?
The canonical SMILES for 6-methoxy-7H-purin-1-ium-2-amine is COc1[nH+]c(N)nc2nc[nH]c12.
What is the InChIKey of 6-methoxy-7H-purin-1-ium-2-amine?
The InChIKey is BXJHWYVXLGLDMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)/p+1.
What are the key properties of 6-methoxy-7H-purin-1-ium-2-amine?
6-methoxy-7H-purin-1-ium-2-amine has a molecular weight of 166.16 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7H-purin-1-ium-2-amine is sourced from PubChem (CID 173027672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).