6-ethoxy-2-methyl-6,7-dihydro-3H-purine

C8H12N4O — CID 123240813

IUPAC6-ethoxy-2-methyl-6,7-dihydro-3H-purine
SMILESCCOC1N=C(C)Nc2nc[nH]c21
InChIInChI=1S/C8H12N4O/c1-3-13-8-6-7(10-4-9-6)11-5(2)12-8/h4,8H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyKZFPGSSLQMPNNJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.29
Rot. Bonds2

About 6-ethoxy-2-methyl-6,7-dihydro-3H-purine

6-ethoxy-2-methyl-6,7-dihydro-3H-purine (PubChem CID 123240813) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-6,7-dihydro-3H-purine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-6,7-dihydro-3H-purine
PubChem CID123240813
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name6-ethoxy-2-methyl-6,7-dihydro-3H-purine
SMILESCCOC1N=C(C)Nc2nc[nH]c21
InChIInChI=1S/C8H12N4O/c1-3-13-8-6-7(10-4-9-6)11-5(2)12-8/h4,8H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyKZFPGSSLQMPNNJ-UHFFFAOYSA-N
XLogP1.29
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-6,7-dihydro-3H-purine?
The IUPAC name of 6-ethoxy-2-methyl-6,7-dihydro-3H-purine (CID 123240813) is 6-ethoxy-2-methyl-6,7-dihydro-3H-purine.
What is the SMILES notation for 6-ethoxy-2-methyl-6,7-dihydro-3H-purine?
The canonical SMILES for 6-ethoxy-2-methyl-6,7-dihydro-3H-purine is CCOC1N=C(C)Nc2nc[nH]c21.
What is the InChIKey of 6-ethoxy-2-methyl-6,7-dihydro-3H-purine?
The InChIKey is KZFPGSSLQMPNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-3-13-8-6-7(10-4-9-6)11-5(2)12-8/h4,8H,3H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 6-ethoxy-2-methyl-6,7-dihydro-3H-purine?
6-ethoxy-2-methyl-6,7-dihydro-3H-purine has a molecular weight of 180.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-6,7-dihydro-3H-purine is sourced from PubChem (CID 123240813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).