9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine

C13H22N7O3P — CID 143387019

IUPAC9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine
SMILESC=CCNc1nc(N)nc2c1ncn2CCOCP(N)(=O)OCC
InChIInChI=1S/C13H22N7O3P/c1-3-5-16-11-10-12(19-13(14)18-11)20(8-17-10)6-7-22-9-24(15,21)23-4-2/h3,8H,1,4-7,9H2,2H3,(H2,15,21)(H3,14,16,18,19)
InChIKeyQPFVVJXZUABTHB-UHFFFAOYSA-N
MW355.34 g/mol
LogP1.17
Rot. Bonds10

About 9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine

9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine (PubChem CID 143387019) has the molecular formula C13H22N7O3P and a molecular weight of 355.34 g/mol. Its IUPAC name is 9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine.

Molecular Properties

Compound Name9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine
PubChem CID143387019
Molecular FormulaC13H22N7O3P
Molecular Weight355.34 g/mol
Exact Mass355.15
IUPAC Name9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine
SMILESC=CCNc1nc(N)nc2c1ncn2CCOCP(N)(=O)OCC
InChIInChI=1S/C13H22N7O3P/c1-3-5-16-11-10-12(19-13(14)18-11)20(8-17-10)6-7-22-9-24(15,21)23-4-2/h3,8H,1,4-7,9H2,2H3,(H2,15,21)(H3,14,16,18,19)
InChIKeyQPFVVJXZUABTHB-UHFFFAOYSA-N
XLogP1.17
TPSA143.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine 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

2-[2-amino-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-ethoxyphosphinic acid;2-methylpropane;propane
CID 143387020
methane;propan-2-yl 2-[[2-[2-amino-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate
CID 159123861
hexyl 2-[[2-[2-amino-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-[(1-hexoxy-1-hydroxypropan-2-yl)amino]phosphoryl]amino]propanoate
CID 143387189
2-[2-amino-6-(prop-2-ynylamino)purin-9-yl]ethoxymethylphosphonic acid
CID 5271678
azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate
CID 10688070
6-N-cyclopropyl-9-[2-(dimethylphosphorylmethoxy)ethyl]purine-2,6-diamine;9-[2-(dimethylphosphorylmethoxy)ethyl]-6-N-methylpurine-2,6-diamine
CID 90869359
6-chloro-9-[2-(dipropoxyphosphorylmethoxy)ethyl]purin-2-amine
CID 89383791
2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-4-methylpentanoic acid
CID 44583132
2-(2-amino-6-chloropurin-9-yl)ethoxymethyl-methoxyphosphinic acid
CID 167008984
[2-(2-amino-6-propoxypurin-9-yl)ethoxymethyl-methylphosphoryl]oxymethyl propan-2-yl carbonate
CID 70986314
9-[4-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]butyl]-6-(2-methoxyethoxy)purin-2-amine
CID 10051951
[(2R)-1-[2-amino-6-(2-methylpropylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid
CID 10948316

Frequently Asked Questions

What is the IUPAC name of 9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine?
The IUPAC name of 9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine (CID 143387019) is 9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine.
What is the SMILES notation for 9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine?
The canonical SMILES for 9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine is C=CCNc1nc(N)nc2c1ncn2CCOCP(N)(=O)OCC.
What is the InChIKey of 9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine?
The InChIKey is QPFVVJXZUABTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N7O3P/c1-3-5-16-11-10-12(19-13(14)18-11)20(8-17-10)6-7-22-9-24(15,21)23-4-2/h3,8H,1,4-7,9H2,2H3,(H2,15,21)(H3,14,16,18,19).
What are the key properties of 9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine?
9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine has a molecular weight of 355.34 g/mol, XLogP of 1.17, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine is sourced from PubChem (CID 143387019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).