[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium

C8H11N5O2P+ — CID 173101965

IUPAC[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium
SMILESCOC(C)([PH+]=O)n1cnc2c(N)ncnc21
InChIInChI=1S/C8H10N5O2P/c1-8(15-2,16-14)13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2H3,(H2,9,10,11)/p+1
InChIKeyCUQDWWYYQZYVRS-UHFFFAOYSA-O
MW240.18 g/mol
LogP0.71
Rot. Bonds3

About [1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium

[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium (PubChem CID 173101965) has the molecular formula C8H11N5O2P+ and a molecular weight of 240.18 g/mol. Its IUPAC name is [1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium.

Molecular Properties

Compound Name[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium
PubChem CID173101965
Molecular FormulaC8H11N5O2P+
Molecular Weight240.18 g/mol
Exact Mass240.06
IUPAC Name[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium
SMILESCOC(C)([PH+]=O)n1cnc2c(N)ncnc21
InChIInChI=1S/C8H10N5O2P/c1-8(15-2,16-14)13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2H3,(H2,9,10,11)/p+1
InChIKeyCUQDWWYYQZYVRS-UHFFFAOYSA-O
XLogP0.71
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine
CID 14935376
2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol
CID 10889815
9-(2-methyloctan-2-yl)purin-6-amine
CID 139502603
9-(5-methyldecan-5-yl)purin-6-amine
CID 170323349
(6-aminopurin-9-yl) formate
CID 57250144
(6-aminopurin-9-yl) acetate
CID 57119110
9-phosphorosopurin-6-amine
CID 57110561
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
1-(6-aminopurin-9-yl)ethanone
CID 56662952
chlorophosphonic acid;9-[2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-ylmethoxy)propan-2-yl]purin-6-amine
CID 175071005
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
9-[1-bromo-2-methoxy-3-(oxan-2-yloxy)propan-2-yl]purin-6-amine
CID 14935378

Frequently Asked Questions

What is the IUPAC name of [1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium?
The IUPAC name of [1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium (CID 173101965) is [1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium.
What is the SMILES notation for [1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium?
The canonical SMILES for [1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium is COC(C)([PH+]=O)n1cnc2c(N)ncnc21.
What is the InChIKey of [1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium?
The InChIKey is CUQDWWYYQZYVRS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N5O2P/c1-8(15-2,16-14)13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2H3,(H2,9,10,11)/p+1.
What are the key properties of [1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium?
[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium has a molecular weight of 240.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium is sourced from PubChem (CID 173101965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).