tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium

C11H21N7OP+ — CID 24751262

IUPACtris(dimethylamino)-(7H-purin-6-yloxy)phosphanium
SMILESCN(C)[P+](Oc1ncnc2nc[nH]c12)(N(C)C)N(C)C
InChIInChI=1S/C11H21N7OP/c1-16(2)20(17(3)4,18(5)6)19-11-9-10(13-7-12-9)14-8-15-11/h7-8H,1-6H3,(H,12,13,14,15)/q+1
InChIKeyOJEUNPOBWYVPHQ-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.09
Rot. Bonds5

About tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium

tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium (PubChem CID 24751262) has the molecular formula C11H21N7OP+ and a molecular weight of 298.31 g/mol. Its IUPAC name is tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium.

Molecular Properties

Compound Nametris(dimethylamino)-(7H-purin-6-yloxy)phosphanium
PubChem CID24751262
Molecular FormulaC11H21N7OP+
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Nametris(dimethylamino)-(7H-purin-6-yloxy)phosphanium
SMILESCN(C)[P+](Oc1ncnc2nc[nH]c12)(N(C)C)N(C)C
InChIInChI=1S/C11H21N7OP/c1-16(2)20(17(3)4,18(5)6)19-11-9-10(13-7-12-9)14-8-15-11/h7-8H,1-6H3,(H,12,13,14,15)/q+1
InChIKeyOJEUNPOBWYVPHQ-UHFFFAOYSA-N
XLogP1.09
TPSA73.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2S)-butan-2-yl]oxy-7H-purine
CID 11819897
N-methyl-2-(7H-purin-6-yloxy)propan-1-amine
CID 62348916
6-prop-2-enoxy-7H-purine
CID 3816971
2-(7H-purin-6-yloxy)acetic acid
CID 114335218
7H-purin-6-yl 2-aminoacetate
CID 54229916
molecular hydrogen;6-propan-2-yl-7H-purine
CID 171499387
1-(7H-purin-6-yl)ethanol
CID 18670461
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
4-(7H-purin-6-yloxy)naphthalen-1-amine
CID 63690306
2,5-difluoro-4-(7H-purin-6-yloxy)aniline
CID 63598478
7H-purin-6-yl 2,4,6-tri(propan-2-yl)benzenesulfonate
CID 175964753
3-(7H-purin-6-yloxy)cyclopentan-1-amine
CID 79465933

Frequently Asked Questions

What is the IUPAC name of tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium?
The IUPAC name of tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium (CID 24751262) is tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium.
What is the SMILES notation for tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium?
The canonical SMILES for tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium is CN(C)[P+](Oc1ncnc2nc[nH]c12)(N(C)C)N(C)C.
What is the InChIKey of tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium?
The InChIKey is OJEUNPOBWYVPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7OP/c1-16(2)20(17(3)4,18(5)6)19-11-9-10(13-7-12-9)14-8-15-11/h7-8H,1-6H3,(H,12,13,14,15)/q+1.
What are the key properties of tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium?
tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium has a molecular weight of 298.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium is sourced from PubChem (CID 24751262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).