6-ethoxy-9-N-ethylpurine-2,9-diamine

C9H14N6O — CID 123136405

IUPAC6-ethoxy-9-N-ethylpurine-2,9-diamine
SMILESCCNn1cnc2c(OCC)nc(N)nc21
InChIInChI=1S/C9H14N6O/c1-3-12-15-5-11-6-7(15)13-9(10)14-8(6)16-4-2/h5,12H,3-4H2,1-2H3,(H2,10,13,14)
InChIKeyDPIRRWMTZZRUJR-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.37
Rot. Bonds4

About 6-ethoxy-9-N-ethylpurine-2,9-diamine

6-ethoxy-9-N-ethylpurine-2,9-diamine (PubChem CID 123136405) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-ethoxy-9-N-ethylpurine-2,9-diamine.

Molecular Properties

Compound Name6-ethoxy-9-N-ethylpurine-2,9-diamine
PubChem CID123136405
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name6-ethoxy-9-N-ethylpurine-2,9-diamine
SMILESCCNn1cnc2c(OCC)nc(N)nc21
InChIInChI=1S/C9H14N6O/c1-3-12-15-5-11-6-7(15)13-9(10)14-8(6)16-4-2/h5,12H,3-4H2,1-2H3,(H2,10,13,14)
InChIKeyDPIRRWMTZZRUJR-UHFFFAOYSA-N
XLogP0.37
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 66576345
5-(2-amino-6-ethoxypurin-9-yl)-4,4-dichloro-2-(hydroxymethyl)oxolan-3-ol
CID 123846486
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90445106
[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57116771
(2R,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 118391681
(2R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolane-3,3-diol
CID 90085246
[5-(2-amino-6-ethoxypurin-9-yl)-3-ethenyl-4-fluoro-4-methyloxolan-2-yl]methanol
CID 123287501
6-ethoxy-N,9-dimethylpurin-2-amine
CID 88677482
(2R,3R,4R)-4-(2-amino-6-ethoxypurin-9-yl)-2-(aminomethyl)-4-fluoro-2-methoxybutane-1,3-diol
CID 144766941
9-butyl-6-ethynoxypurin-2-amine
CID 167178851
[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 53466215

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-9-N-ethylpurine-2,9-diamine?
The IUPAC name of 6-ethoxy-9-N-ethylpurine-2,9-diamine (CID 123136405) is 6-ethoxy-9-N-ethylpurine-2,9-diamine.
What is the SMILES notation for 6-ethoxy-9-N-ethylpurine-2,9-diamine?
The canonical SMILES for 6-ethoxy-9-N-ethylpurine-2,9-diamine is CCNn1cnc2c(OCC)nc(N)nc21.
What is the InChIKey of 6-ethoxy-9-N-ethylpurine-2,9-diamine?
The InChIKey is DPIRRWMTZZRUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-3-12-15-5-11-6-7(15)13-9(10)14-8(6)16-4-2/h5,12H,3-4H2,1-2H3,(H2,10,13,14).
What are the key properties of 6-ethoxy-9-N-ethylpurine-2,9-diamine?
6-ethoxy-9-N-ethylpurine-2,9-diamine has a molecular weight of 222.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-9-N-ethylpurine-2,9-diamine is sourced from PubChem (CID 123136405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).