6-[(2S)-butan-2-yl]oxy-7H-purine

C9H12N4O — CID 11819897

IUPAC6-[(2S)-butan-2-yl]oxy-7H-purine
SMILESCC[C@H](C)Oc1ncnc2nc[nH]c12
InChIInChI=1S/C9H12N4O/c1-3-6(2)14-9-7-8(11-4-10-7)12-5-13-9/h4-6H,3H2,1-2H3,(H,10,11,12,13)/t6-/m0/s1
InChIKeyHCSUTVBKDQCUSH-LURJTMIESA-N
MW192.22 g/mol
LogP1.53
Rot. Bonds3

About 6-[(2S)-butan-2-yl]oxy-7H-purine

6-[(2S)-butan-2-yl]oxy-7H-purine (PubChem CID 11819897) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-[(2S)-butan-2-yl]oxy-7H-purine.

Molecular Properties

Compound Name6-[(2S)-butan-2-yl]oxy-7H-purine
PubChem CID11819897
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name6-[(2S)-butan-2-yl]oxy-7H-purine
SMILESCC[C@H](C)Oc1ncnc2nc[nH]c12
InChIInChI=1S/C9H12N4O/c1-3-6(2)14-9-7-8(11-4-10-7)12-5-13-9/h4-6H,3H2,1-2H3,(H,10,11,12,13)/t6-/m0/s1
InChIKeyHCSUTVBKDQCUSH-LURJTMIESA-N
XLogP1.53
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(7H-purin-6-yloxy)propan-1-amine
CID 62348916
tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium
CID 24751262
6-prop-2-enoxy-7H-purine
CID 3816971
2-(7H-purin-6-yloxy)acetic acid
CID 114335218
5-bromo-4-butan-2-yloxy-1H-pyrimidin-6-one
CID 114676255
ethane;2-methylbutan-1-amine;7H-purin-6-amine
CID 144555996
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine
CID 104786882
molecular hydrogen;6-propan-2-yl-7H-purine
CID 171499387
1-(7H-purin-6-yl)ethanol
CID 18670461
7H-purin-6-yl 2-aminoacetate
CID 54229916
2-ethyl-6-propan-2-yloxy-7H-purine
CID 123998752

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-butan-2-yl]oxy-7H-purine?
The IUPAC name of 6-[(2S)-butan-2-yl]oxy-7H-purine (CID 11819897) is 6-[(2S)-butan-2-yl]oxy-7H-purine.
What is the SMILES notation for 6-[(2S)-butan-2-yl]oxy-7H-purine?
The canonical SMILES for 6-[(2S)-butan-2-yl]oxy-7H-purine is CC[C@H](C)Oc1ncnc2nc[nH]c12.
What is the InChIKey of 6-[(2S)-butan-2-yl]oxy-7H-purine?
The InChIKey is HCSUTVBKDQCUSH-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-6(2)14-9-7-8(11-4-10-7)12-5-13-9/h4-6H,3H2,1-2H3,(H,10,11,12,13)/t6-/m0/s1.
What are the key properties of 6-[(2S)-butan-2-yl]oxy-7H-purine?
6-[(2S)-butan-2-yl]oxy-7H-purine has a molecular weight of 192.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-butan-2-yl]oxy-7H-purine is sourced from PubChem (CID 11819897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).