9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine

C9H13FN5OP — CID 68636068

IUPAC9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
SMILESCOC(F)C(P)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C9H13FN5OP/c1-16-7(10)5(17)2-15-4-14-6-8(11)12-3-13-9(6)15/h3-5,7H,2,17H2,1H3,(H2,11,12,13)
InChIKeyYNWMMHNYFAHIDP-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.59
Rot. Bonds4

About 9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine

9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine (PubChem CID 68636068) has the molecular formula C9H13FN5OP and a molecular weight of 257.21 g/mol. Its IUPAC name is 9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine.

Molecular Properties

Compound Name9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
PubChem CID68636068
Molecular FormulaC9H13FN5OP
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
SMILESCOC(F)C(P)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C9H13FN5OP/c1-16-7(10)5(17)2-15-4-14-6-8(11)12-3-13-9(6)15/h3-5,7H,2,17H2,1H3,(H2,11,12,13)
InChIKeyYNWMMHNYFAHIDP-UHFFFAOYSA-N
XLogP0.59
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-(3-fluoro-3-methoxy-2-phosphanylpropyl)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

9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 585243
[(2S)-3-(6-aminopurin-9-yl)-2-hydroxypropyl]phosphonic acid
CID 135336572
2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
CID 5271673
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonous acid
CID 144949236
[(3R)-4-(6-aminopurin-9-yl)-3-hydroxybutyl]phosphonic acid
CID 146313430
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
9-(2-methoxyiminoethyl)purin-6-amine
CID 173359043
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate
CID 161403767
1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate;carbanylium
CID 160797854

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine?
The IUPAC name of 9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine (CID 68636068) is 9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine.
What is the SMILES notation for 9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine?
The canonical SMILES for 9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine is COC(F)C(P)Cn1cnc2c(N)ncnc21.
What is the InChIKey of 9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine?
The InChIKey is YNWMMHNYFAHIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN5OP/c1-16-7(10)5(17)2-15-4-14-6-8(11)12-3-13-9(6)15/h3-5,7H,2,17H2,1H3,(H2,11,12,13).
What are the key properties of 9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine?
9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine has a molecular weight of 257.21 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine is sourced from PubChem (CID 68636068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).