6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine

C11H18N4O — CID 90299883

IUPAC6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine
SMILESCCOC1=NC(C)Nc2c1ncn2C(C)C
InChIInChI=1S/C11H18N4O/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3/h6-8,13H,5H2,1-4H3
InChIKeySGFPMRPRFGHRGF-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.02
Rot. Bonds2

About 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine

6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine (PubChem CID 90299883) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine
PubChem CID90299883
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine
SMILESCCOC1=NC(C)Nc2c1ncn2C(C)C
InChIInChI=1S/C11H18N4O/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3/h6-8,13H,5H2,1-4H3
InChIKeySGFPMRPRFGHRGF-UHFFFAOYSA-N
XLogP2.02
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine?
The IUPAC name of 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine (CID 90299883) is 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine.
What is the SMILES notation for 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine?
The canonical SMILES for 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine is CCOC1=NC(C)Nc2c1ncn2C(C)C.
What is the InChIKey of 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine?
The InChIKey is SGFPMRPRFGHRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3/h6-8,13H,5H2,1-4H3.
What are the key properties of 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine?
6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine has a molecular weight of 222.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine is sourced from PubChem (CID 90299883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).