6-ethoxy-N,9-dimethylpurin-2-amine

C9H13N5O — CID 88677482

IUPAC6-ethoxy-N,9-dimethylpurin-2-amine
SMILESCCOc1nc(NC)nc2c1ncn2C
InChIInChI=1S/C9H13N5O/c1-4-15-8-6-7(14(3)5-11-6)12-9(10-2)13-8/h5H,4H2,1-3H3,(H,10,12,13)
InChIKeyXMDYWLKMUGSFLA-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.80
Rot. Bonds3

About 6-ethoxy-N,9-dimethylpurin-2-amine

6-ethoxy-N,9-dimethylpurin-2-amine (PubChem CID 88677482) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 6-ethoxy-N,9-dimethylpurin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N,9-dimethylpurin-2-amine
PubChem CID88677482
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name6-ethoxy-N,9-dimethylpurin-2-amine
SMILESCCOc1nc(NC)nc2c1ncn2C
InChIInChI=1S/C9H13N5O/c1-4-15-8-6-7(14(3)5-11-6)12-9(10-2)13-8/h5H,4H2,1-3H3,(H,10,12,13)
InChIKeyXMDYWLKMUGSFLA-UHFFFAOYSA-N
XLogP0.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N,9-dimethylpurin-2-amine?
The IUPAC name of 6-ethoxy-N,9-dimethylpurin-2-amine (CID 88677482) is 6-ethoxy-N,9-dimethylpurin-2-amine.
What is the SMILES notation for 6-ethoxy-N,9-dimethylpurin-2-amine?
The canonical SMILES for 6-ethoxy-N,9-dimethylpurin-2-amine is CCOc1nc(NC)nc2c1ncn2C.
What is the InChIKey of 6-ethoxy-N,9-dimethylpurin-2-amine?
The InChIKey is XMDYWLKMUGSFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-4-15-8-6-7(14(3)5-11-6)12-9(10-2)13-8/h5H,4H2,1-3H3,(H,10,12,13).
What are the key properties of 6-ethoxy-N,9-dimethylpurin-2-amine?
6-ethoxy-N,9-dimethylpurin-2-amine has a molecular weight of 207.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N,9-dimethylpurin-2-amine is sourced from PubChem (CID 88677482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).