(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine

C11H15N5O — CID 756697

IUPAC(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine
SMILESC[C@@H]1CN(c2ncnc3nc[nH]c23)C[C@H](C)O1
InChIInChI=1S/C11H15N5O/c1-7-3-16(4-8(2)17-7)11-9-10(13-5-12-9)14-6-15-11/h5-8H,3-4H2,1-2H3,(H,12,13,14,15)/t7-,8+
InChIKeyIIHBCXMAJDUMFA-OCAPTIKFSA-N
MW233.28 g/mol
LogP0.97
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine

(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine (PubChem CID 756697) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine
PubChem CID756697
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine
SMILESC[C@@H]1CN(c2ncnc3nc[nH]c23)C[C@H](C)O1
InChIInChI=1S/C11H15N5O/c1-7-3-16(4-8(2)17-7)11-9-10(13-5-12-9)14-6-15-11/h5-8H,3-4H2,1-2H3,(H,12,13,14,15)/t7-,8+
InChIKeyIIHBCXMAJDUMFA-OCAPTIKFSA-N
XLogP0.97
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
(2R)-2-ethyl-4-(7H-purin-6-yl)morpholine
CID 94145887
(3aR,6aS)-2-methyl-5-(7H-purin-6-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione;formic acid
CID 154910539
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 18008420
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine
CID 166304856

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine (CID 756697) is (2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine is C[C@@H]1CN(c2ncnc3nc[nH]c23)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine?
The InChIKey is IIHBCXMAJDUMFA-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-3-16(4-8(2)17-7)11-9-10(13-5-12-9)14-6-15-11/h5-8H,3-4H2,1-2H3,(H,12,13,14,15)/t7-,8+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine?
(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine has a molecular weight of 233.28 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine is sourced from PubChem (CID 756697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).