4-[2-(7H-purin-6-yl)ethenyl]morpholine

C11H13N5O — CID 71424129

IUPAC4-[2-(7H-purin-6-yl)ethenyl]morpholine
SMILESC(=CN1CCOCC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C11H13N5O/c1(2-16-3-5-17-6-4-16)9-10-11(14-7-12-9)15-8-13-10/h1-2,7-8H,3-6H2,(H,12,13,14,15)
InChIKeyVQGKOQLCTIMMLV-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.66
Rot. Bonds2

About 4-[2-(7H-purin-6-yl)ethenyl]morpholine

4-[2-(7H-purin-6-yl)ethenyl]morpholine (PubChem CID 71424129) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-[2-(7H-purin-6-yl)ethenyl]morpholine.

Molecular Properties

Compound Name4-[2-(7H-purin-6-yl)ethenyl]morpholine
PubChem CID71424129
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-[2-(7H-purin-6-yl)ethenyl]morpholine
SMILESC(=CN1CCOCC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C11H13N5O/c1(2-16-3-5-17-6-4-16)9-10-11(14-7-12-9)15-8-13-10/h1-2,7-8H,3-6H2,(H,12,13,14,15)
InChIKeyVQGKOQLCTIMMLV-UHFFFAOYSA-N
XLogP0.66
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine
CID 11579205
6-iodo-7H-purine;oxolane
CID 87739519
(2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoic acid
CID 100923821
(NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine
CID 137012777
N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine
CID 108773228
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
(6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone
CID 140856787
S-[4-(7H-purin-6-yl)but-3-enyl] ethanethioate
CID 170480242
N-methyl-N-(oxan-4-yl)-7H-purin-6-amine
CID 155982544
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
CID 94145816
(2R)-2-ethyl-4-(7H-purin-6-yl)morpholine
CID 94145887
[(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929245

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7H-purin-6-yl)ethenyl]morpholine?
The IUPAC name of 4-[2-(7H-purin-6-yl)ethenyl]morpholine (CID 71424129) is 4-[2-(7H-purin-6-yl)ethenyl]morpholine.
What is the SMILES notation for 4-[2-(7H-purin-6-yl)ethenyl]morpholine?
The canonical SMILES for 4-[2-(7H-purin-6-yl)ethenyl]morpholine is C(=CN1CCOCC1)c1ncnc2nc[nH]c12.
What is the InChIKey of 4-[2-(7H-purin-6-yl)ethenyl]morpholine?
The InChIKey is VQGKOQLCTIMMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1(2-16-3-5-17-6-4-16)9-10-11(14-7-12-9)15-8-13-10/h1-2,7-8H,3-6H2,(H,12,13,14,15).
What are the key properties of 4-[2-(7H-purin-6-yl)ethenyl]morpholine?
4-[2-(7H-purin-6-yl)ethenyl]morpholine has a molecular weight of 231.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7H-purin-6-yl)ethenyl]morpholine is sourced from PubChem (CID 71424129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).