9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine

C11H17N5O — CID 86016896

IUPAC9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine
SMILESCCOC(C)n1cnc2c(N(C)C)ncnc21
InChIInChI=1S/C11H17N5O/c1-5-17-8(2)16-7-14-9-10(15(3)4)12-6-13-11(9)16/h6-8H,5H2,1-4H3
InChIKeyJKEMXJUTBGTJNS-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.45
Rot. Bonds4

About 9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine

9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine (PubChem CID 86016896) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine.

Molecular Properties

Compound Name9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine
PubChem CID86016896
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine
SMILESCCOC(C)n1cnc2c(N(C)C)ncnc21
InChIInChI=1S/C11H17N5O/c1-5-17-8(2)16-7-14-9-10(15(3)4)12-6-13-11(9)16/h6-8H,5H2,1-4H3
InChIKeyJKEMXJUTBGTJNS-UHFFFAOYSA-N
XLogP1.45
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine?
The IUPAC name of 9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine (CID 86016896) is 9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine.
What is the SMILES notation for 9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine?
The canonical SMILES for 9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine is CCOC(C)n1cnc2c(N(C)C)ncnc21.
What is the InChIKey of 9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine?
The InChIKey is JKEMXJUTBGTJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-5-17-8(2)16-7-14-9-10(15(3)4)12-6-13-11(9)16/h6-8H,5H2,1-4H3.
What are the key properties of 9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine?
9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine has a molecular weight of 235.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine is sourced from PubChem (CID 86016896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).