9-(6-methyloxan-2-yl)purin-6-amine

C11H15N5O — CID 91511498

IUPAC9-(6-methyloxan-2-yl)purin-6-amine
SMILESCC1CCCC(n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C11H15N5O/c1-7-3-2-4-8(17-7)16-6-15-9-10(12)13-5-14-11(9)16/h5-8H,2-4H2,1H3,(H2,12,13,14)
InChIKeyIHTJJUVIOYVBHJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.50
Rot. Bonds1

About 9-(6-methyloxan-2-yl)purin-6-amine

9-(6-methyloxan-2-yl)purin-6-amine (PubChem CID 91511498) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 9-(6-methyloxan-2-yl)purin-6-amine.

Molecular Properties

Compound Name9-(6-methyloxan-2-yl)purin-6-amine
PubChem CID91511498
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name9-(6-methyloxan-2-yl)purin-6-amine
SMILESCC1CCCC(n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C11H15N5O/c1-7-3-2-4-8(17-7)16-6-15-9-10(12)13-5-14-11(9)16/h5-8H,2-4H2,1H3,(H2,12,13,14)
InChIKeyIHTJJUVIOYVBHJ-UHFFFAOYSA-N
XLogP1.50
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol
CID 167504350
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine
CID 58159383
N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 123204035
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
CID 138569278
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methylthiourea
CID 142299425
(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
CID 676784
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol
CID 21338241

Frequently Asked Questions

What is the IUPAC name of 9-(6-methyloxan-2-yl)purin-6-amine?
The IUPAC name of 9-(6-methyloxan-2-yl)purin-6-amine (CID 91511498) is 9-(6-methyloxan-2-yl)purin-6-amine.
What is the SMILES notation for 9-(6-methyloxan-2-yl)purin-6-amine?
The canonical SMILES for 9-(6-methyloxan-2-yl)purin-6-amine is CC1CCCC(n2cnc3c(N)ncnc32)O1.
What is the InChIKey of 9-(6-methyloxan-2-yl)purin-6-amine?
The InChIKey is IHTJJUVIOYVBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-3-2-4-8(17-7)16-6-15-9-10(12)13-5-14-11(9)16/h5-8H,2-4H2,1H3,(H2,12,13,14).
What are the key properties of 9-(6-methyloxan-2-yl)purin-6-amine?
9-(6-methyloxan-2-yl)purin-6-amine has a molecular weight of 233.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methyloxan-2-yl)purin-6-amine is sourced from PubChem (CID 91511498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).