9-(2-chloroethoxymethyl)purin-6-amine

C8H10ClN5O — CID 10013983

IUPAC9-(2-chloroethoxymethyl)purin-6-amine
SMILESNc1ncnc2c1ncn2COCCCl
InChIInChI=1S/C8H10ClN5O/c9-1-2-15-5-14-4-13-6-7(10)11-3-12-8(6)14/h3-4H,1-2,5H2,(H2,10,11,12)
InChIKeyIXWIERFWDKIYOH-UHFFFAOYSA-N
MW227.66 g/mol
LogP0.62
Rot. Bonds4

About 9-(2-chloroethoxymethyl)purin-6-amine

9-(2-chloroethoxymethyl)purin-6-amine (PubChem CID 10013983) has the molecular formula C8H10ClN5O and a molecular weight of 227.66 g/mol. Its IUPAC name is 9-(2-chloroethoxymethyl)purin-6-amine.

Molecular Properties

Compound Name9-(2-chloroethoxymethyl)purin-6-amine
PubChem CID10013983
Molecular FormulaC8H10ClN5O
Molecular Weight227.66 g/mol
Exact Mass227.06
IUPAC Name9-(2-chloroethoxymethyl)purin-6-amine
SMILESNc1ncnc2c1ncn2COCCCl
InChIInChI=1S/C8H10ClN5O/c9-1-2-15-5-14-4-13-6-7(10)11-3-12-8(6)14/h3-4H,1-2,5H2,(H2,10,11,12)
InChIKeyIXWIERFWDKIYOH-UHFFFAOYSA-N
XLogP0.62
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.66
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-(2-prop-2-enoxyethoxymethyl)purin-6-amine
CID 10824507
2-[(6-aminopurin-9-yl)methoxy]ethyl sulfamate
CID 10424192
2-[(6-aminopurin-9-yl)methoxy]-3-chloropropan-1-ol
CID 14410788
(2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid
CID 102020867
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
9-[(E)-4-chlorobut-2-enyl]purin-6-amine
CID 14408818
[(E)-3-[(6-aminopurin-9-yl)methoxy]prop-1-enyl]phosphonic acid
CID 67880407
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 59288010

Frequently Asked Questions

What is the IUPAC name of 9-(2-chloroethoxymethyl)purin-6-amine?
The IUPAC name of 9-(2-chloroethoxymethyl)purin-6-amine (CID 10013983) is 9-(2-chloroethoxymethyl)purin-6-amine.
What is the SMILES notation for 9-(2-chloroethoxymethyl)purin-6-amine?
The canonical SMILES for 9-(2-chloroethoxymethyl)purin-6-amine is Nc1ncnc2c1ncn2COCCCl.
What is the InChIKey of 9-(2-chloroethoxymethyl)purin-6-amine?
The InChIKey is IXWIERFWDKIYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O/c9-1-2-15-5-14-4-13-6-7(10)11-3-12-8(6)14/h3-4H,1-2,5H2,(H2,10,11,12).
What are the key properties of 9-(2-chloroethoxymethyl)purin-6-amine?
9-(2-chloroethoxymethyl)purin-6-amine has a molecular weight of 227.66 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloroethoxymethyl)purin-6-amine is sourced from PubChem (CID 10013983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).