9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine

C9H10N5O2P — CID 166551576

IUPAC9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine
SMILESC=C(Cn1cnc2c(N)ncnc21)OCP=O
InChIInChI=1S/C9H10N5O2P/c1-6(16-5-17-15)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4H,1-2,5H2,(H2,10,11,12)
InChIKeyMCEWSHOYEYBFTQ-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.19
Rot. Bonds5

About 9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine

9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine (PubChem CID 166551576) has the molecular formula C9H10N5O2P and a molecular weight of 251.19 g/mol. Its IUPAC name is 9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine
PubChem CID166551576
Molecular FormulaC9H10N5O2P
Molecular Weight251.19 g/mol
Exact Mass251.06
IUPAC Name9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine
SMILESC=C(Cn1cnc2c(N)ncnc21)OCP=O
InChIInChI=1S/C9H10N5O2P/c1-6(16-5-17-15)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4H,1-2,5H2,(H2,10,11,12)
InChIKeyMCEWSHOYEYBFTQ-UHFFFAOYSA-N
XLogP1.19
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine 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

1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088
2-(6-aminopurin-9-yl)-1-(4-bromophenyl)ethanone
CID 62023863
2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium
CID 4184659
N-[3-(6-aminopurin-9-yl)propyl]-2-methylprop-2-enamide
CID 137499406
9-(2-chloroethoxymethyl)purin-6-amine
CID 10013983
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
CID 14283773
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide
CID 62664724

Frequently Asked Questions

What is the IUPAC name of 9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine?
The IUPAC name of 9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine (CID 166551576) is 9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine.
What is the SMILES notation for 9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine?
The canonical SMILES for 9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine is C=C(Cn1cnc2c(N)ncnc21)OCP=O.
What is the InChIKey of 9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine?
The InChIKey is MCEWSHOYEYBFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N5O2P/c1-6(16-5-17-15)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4H,1-2,5H2,(H2,10,11,12).
What are the key properties of 9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine?
9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine has a molecular weight of 251.19 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine is sourced from PubChem (CID 166551576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).