6-methoxy-3,7-dihydro-2H-purin-2-amine

C6H9N5O — CID 91586601

IUPAC6-methoxy-3,7-dihydro-2H-purin-2-amine
SMILESCOC1=NC(N)Nc2nc[nH]c21
InChIInChI=1S/C6H9N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2,6,10H,7H2,1H3,(H,8,9)
InChIKeyRAAVXQFYBCIDRP-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.53
Rot. Bonds

About 6-methoxy-3,7-dihydro-2H-purin-2-amine

6-methoxy-3,7-dihydro-2H-purin-2-amine (PubChem CID 91586601) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 6-methoxy-3,7-dihydro-2H-purin-2-amine.

Molecular Properties

Compound Name6-methoxy-3,7-dihydro-2H-purin-2-amine
PubChem CID91586601
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name6-methoxy-3,7-dihydro-2H-purin-2-amine
SMILESCOC1=NC(N)Nc2nc[nH]c21
InChIInChI=1S/C6H9N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2,6,10H,7H2,1H3,(H,8,9)
InChIKeyRAAVXQFYBCIDRP-UHFFFAOYSA-N
XLogP-0.53
TPSA88.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,7-dihydro-2H-purin-2-amine?
The IUPAC name of 6-methoxy-3,7-dihydro-2H-purin-2-amine (CID 91586601) is 6-methoxy-3,7-dihydro-2H-purin-2-amine.
What is the SMILES notation for 6-methoxy-3,7-dihydro-2H-purin-2-amine?
The canonical SMILES for 6-methoxy-3,7-dihydro-2H-purin-2-amine is COC1=NC(N)Nc2nc[nH]c21.
What is the InChIKey of 6-methoxy-3,7-dihydro-2H-purin-2-amine?
The InChIKey is RAAVXQFYBCIDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2,6,10H,7H2,1H3,(H,8,9).
What are the key properties of 6-methoxy-3,7-dihydro-2H-purin-2-amine?
6-methoxy-3,7-dihydro-2H-purin-2-amine has a molecular weight of 167.17 g/mol, XLogP of -0.53, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,7-dihydro-2H-purin-2-amine is sourced from PubChem (CID 91586601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).