9-(2-prop-2-enoxyethoxymethyl)purin-6-amine

C11H15N5O2 — CID 10824507

IUPAC9-(2-prop-2-enoxyethoxymethyl)purin-6-amine
SMILESC=CCOCCOCn1cnc2c(N)ncnc21
InChIInChI=1S/C11H15N5O2/c1-2-3-17-4-5-18-8-16-7-15-9-10(12)13-6-14-11(9)16/h2,6-7H,1,3-5,8H2,(H2,12,13,14)
InChIKeyLWHWFGRMXGZEOV-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.59
Rot. Bonds7

About 9-(2-prop-2-enoxyethoxymethyl)purin-6-amine

9-(2-prop-2-enoxyethoxymethyl)purin-6-amine (PubChem CID 10824507) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 9-(2-prop-2-enoxyethoxymethyl)purin-6-amine.

Molecular Properties

Compound Name9-(2-prop-2-enoxyethoxymethyl)purin-6-amine
PubChem CID10824507
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name9-(2-prop-2-enoxyethoxymethyl)purin-6-amine
SMILESC=CCOCCOCn1cnc2c(N)ncnc21
InChIInChI=1S/C11H15N5O2/c1-2-3-17-4-5-18-8-16-7-15-9-10(12)13-6-14-11(9)16/h2,6-7H,1,3-5,8H2,(H2,12,13,14)
InChIKeyLWHWFGRMXGZEOV-UHFFFAOYSA-N
XLogP0.59
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-(2-chloroethoxymethyl)purin-6-amine
CID 10013983
2-[(6-aminopurin-9-yl)methoxy]ethyl sulfamate
CID 10424192
[(E)-3-[(6-aminopurin-9-yl)methoxy]prop-1-enyl]phosphonic acid
CID 67880407
(2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid
CID 102020867
prop-2-enyl (2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 131879127
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
[(E)-1-[(6-aminopurin-9-yl)methoxy]prop-1-enyl]phosphonic acid
CID 67880418
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-(4-aminobut-2-enyl)purin-6-amine
CID 73233001
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097

Frequently Asked Questions

What is the IUPAC name of 9-(2-prop-2-enoxyethoxymethyl)purin-6-amine?
The IUPAC name of 9-(2-prop-2-enoxyethoxymethyl)purin-6-amine (CID 10824507) is 9-(2-prop-2-enoxyethoxymethyl)purin-6-amine.
What is the SMILES notation for 9-(2-prop-2-enoxyethoxymethyl)purin-6-amine?
The canonical SMILES for 9-(2-prop-2-enoxyethoxymethyl)purin-6-amine is C=CCOCCOCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-(2-prop-2-enoxyethoxymethyl)purin-6-amine?
The InChIKey is LWHWFGRMXGZEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-2-3-17-4-5-18-8-16-7-15-9-10(12)13-6-14-11(9)16/h2,6-7H,1,3-5,8H2,(H2,12,13,14).
What are the key properties of 9-(2-prop-2-enoxyethoxymethyl)purin-6-amine?
9-(2-prop-2-enoxyethoxymethyl)purin-6-amine has a molecular weight of 249.27 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-prop-2-enoxyethoxymethyl)purin-6-amine is sourced from PubChem (CID 10824507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).