9-methyl-6-prop-2-enoxypurine

C9H10N4O — CID 126954770

IUPAC9-methyl-6-prop-2-enoxypurine
SMILESC=CCOc1ncnc2c1ncn2C
InChIInChI=1S/C9H10N4O/c1-3-4-14-9-7-8(10-5-11-9)13(2)6-12-7/h3,5-6H,1,4H2,2H3
InChIKeyKRBDVGLCIFOYDI-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.93
Rot. Bonds3

About 9-methyl-6-prop-2-enoxypurine

9-methyl-6-prop-2-enoxypurine (PubChem CID 126954770) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 9-methyl-6-prop-2-enoxypurine.

Molecular Properties

Compound Name9-methyl-6-prop-2-enoxypurine
PubChem CID126954770
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name9-methyl-6-prop-2-enoxypurine
SMILESC=CCOc1ncnc2c1ncn2C
InChIInChI=1S/C9H10N4O/c1-3-4-14-9-7-8(10-5-11-9)13(2)6-12-7/h3,5-6H,1,4H2,2H3
InChIKeyKRBDVGLCIFOYDI-UHFFFAOYSA-N
XLogP0.93
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-prop-2-enoxypurine?
The IUPAC name of 9-methyl-6-prop-2-enoxypurine (CID 126954770) is 9-methyl-6-prop-2-enoxypurine.
What is the SMILES notation for 9-methyl-6-prop-2-enoxypurine?
The canonical SMILES for 9-methyl-6-prop-2-enoxypurine is C=CCOc1ncnc2c1ncn2C.
What is the InChIKey of 9-methyl-6-prop-2-enoxypurine?
The InChIKey is KRBDVGLCIFOYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-3-4-14-9-7-8(10-5-11-9)13(2)6-12-7/h3,5-6H,1,4H2,2H3.
What are the key properties of 9-methyl-6-prop-2-enoxypurine?
9-methyl-6-prop-2-enoxypurine has a molecular weight of 190.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-prop-2-enoxypurine is sourced from PubChem (CID 126954770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).