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

C9H14N5OP — CID 57195073

IUPAC9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
SMILESCOCC(P)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C9H14N5OP/c1-15-3-6(16)2-14-5-13-7-8(10)11-4-12-9(7)14/h4-6H,2-3,16H2,1H3,(H2,10,11,12)
InChIKeyPRTQBRPDTDGONJ-UHFFFAOYSA-N
MW239.22 g/mol
LogP0.30
Rot. Bonds4

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

9-(3-methoxy-2-phosphanylpropyl)purin-6-amine (PubChem CID 57195073) has the molecular formula C9H14N5OP and a molecular weight of 239.22 g/mol. Its IUPAC name is 9-(3-methoxy-2-phosphanylpropyl)purin-6-amine.

Molecular Properties

Compound Name9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
PubChem CID57195073
Molecular FormulaC9H14N5OP
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
SMILESCOCC(P)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C9H14N5OP/c1-15-3-6(16)2-14-5-13-7-8(10)11-4-12-9(7)14/h4-6H,2-3,16H2,1H3,(H2,10,11,12)
InChIKeyPRTQBRPDTDGONJ-UHFFFAOYSA-N
XLogP0.30
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 68636068
2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
CID 5271673
methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 585243
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonous acid
CID 144949236
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
2-[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxyethylphosphonic acid;ethane
CID 143297032
[(2R)-3-(6-aminopurin-9-yl)-1-[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxy-2-methylpropyl]phosphonic acid
CID 163197516
9-(2-methoxyiminoethyl)purin-6-amine
CID 173359043
1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate
CID 161403767

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxy-2-phosphanylpropyl)purin-6-amine?
The IUPAC name of 9-(3-methoxy-2-phosphanylpropyl)purin-6-amine (CID 57195073) is 9-(3-methoxy-2-phosphanylpropyl)purin-6-amine.
What is the SMILES notation for 9-(3-methoxy-2-phosphanylpropyl)purin-6-amine?
The canonical SMILES for 9-(3-methoxy-2-phosphanylpropyl)purin-6-amine is COCC(P)Cn1cnc2c(N)ncnc21.
What is the InChIKey of 9-(3-methoxy-2-phosphanylpropyl)purin-6-amine?
The InChIKey is PRTQBRPDTDGONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N5OP/c1-15-3-6(16)2-14-5-13-7-8(10)11-4-12-9(7)14/h4-6H,2-3,16H2,1H3,(H2,10,11,12).
What are the key properties of 9-(3-methoxy-2-phosphanylpropyl)purin-6-amine?
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine has a molecular weight of 239.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxy-2-phosphanylpropyl)purin-6-amine is sourced from PubChem (CID 57195073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).