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

C6H9N5O — CID 14795176

IUPAC6-methoxy-6,7-dihydro-3H-purin-2-amine
SMILESCOC1N=C(N)Nc2nc[nH]c21
InChIInChI=1S/C6H9N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2,5H,1H3,(H,8,9)(H3,7,10,11)
InChIKeyYVKSYEXBVVKPNW-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.21
Rot. Bonds1

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

6-methoxy-6,7-dihydro-3H-purin-2-amine (PubChem CID 14795176) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 6-methoxy-6,7-dihydro-3H-purin-2-amine.

Molecular Properties

Compound Name6-methoxy-6,7-dihydro-3H-purin-2-amine
PubChem CID14795176
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name6-methoxy-6,7-dihydro-3H-purin-2-amine
SMILESCOC1N=C(N)Nc2nc[nH]c21
InChIInChI=1S/C6H9N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2,5H,1H3,(H,8,9)(H3,7,10,11)
InChIKeyYVKSYEXBVVKPNW-UHFFFAOYSA-N
XLogP-0.21
TPSA88.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-Methyl-3H-imidazol-4-ylmethoxy)-6,9-dihydro-1H-purin-2-ylamine
CID 44366362
4-(methoxymethyl)-1H-imidazole
CID 21401481
4-(methoxymethyl)-5-methyl-3H-imidazole
CID 12362436
6-Hydroxyl-1,6-dihydropurine
CID 53851193
1,6-Dihydro-6-hydroxy-methyl purine
CID 67582006
Methyl 5-aminoimidazole-4-thiocarboxylate
CID 129781387
4-Amino-5-(oxazolin-2-yl)imidazole
CID 129797919
Ethanamine, 2-((5-methyl-1H-imidazol-4-yl)methoxy)-
CID 157952
4-fluoro-5-(methoxymethyl)-1H-imidazole
CID 55288406
O6-(2-((2-Hydroxyethyl)thio)ethyl)guanine
CID 162420553
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-6,7-dihydro-3H-purin-2-amine?
The IUPAC name of 6-methoxy-6,7-dihydro-3H-purin-2-amine (CID 14795176) is 6-methoxy-6,7-dihydro-3H-purin-2-amine.
What is the SMILES notation for 6-methoxy-6,7-dihydro-3H-purin-2-amine?
The canonical SMILES for 6-methoxy-6,7-dihydro-3H-purin-2-amine is COC1N=C(N)Nc2nc[nH]c21.
What is the InChIKey of 6-methoxy-6,7-dihydro-3H-purin-2-amine?
The InChIKey is YVKSYEXBVVKPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2,5H,1H3,(H,8,9)(H3,7,10,11).
What are the key properties of 6-methoxy-6,7-dihydro-3H-purin-2-amine?
6-methoxy-6,7-dihydro-3H-purin-2-amine has a molecular weight of 167.17 g/mol, XLogP of -0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6,7-dihydro-3H-purin-2-amine is sourced from PubChem (CID 14795176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).