9-tert-butyl-2-fluoro-6-methoxypurine

C10H13FN4O — CID 142303808

IUPAC9-tert-butyl-2-fluoro-6-methoxypurine
SMILESCOc1nc(F)nc2c1ncn2C(C)(C)C
InChIInChI=1S/C10H13FN4O/c1-10(2,3)15-5-12-6-7(15)13-9(11)14-8(6)16-4/h5H,1-4H3
InChIKeySWMZHCCLIUPXCA-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.73
Rot. Bonds1

About 9-tert-butyl-2-fluoro-6-methoxypurine

9-tert-butyl-2-fluoro-6-methoxypurine (PubChem CID 142303808) has the molecular formula C10H13FN4O and a molecular weight of 224.24 g/mol. Its IUPAC name is 9-tert-butyl-2-fluoro-6-methoxypurine.

Molecular Properties

Compound Name9-tert-butyl-2-fluoro-6-methoxypurine
PubChem CID142303808
Molecular FormulaC10H13FN4O
Molecular Weight224.24 g/mol
Exact Mass224.11
IUPAC Name9-tert-butyl-2-fluoro-6-methoxypurine
SMILESCOc1nc(F)nc2c1ncn2C(C)(C)C
InChIInChI=1S/C10H13FN4O/c1-10(2,3)15-5-12-6-7(15)13-9(11)14-8(6)16-4/h5H,1-4H3
InChIKeySWMZHCCLIUPXCA-UHFFFAOYSA-N
XLogP1.73
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-fluoro-6-methoxypurine?
The IUPAC name of 9-tert-butyl-2-fluoro-6-methoxypurine (CID 142303808) is 9-tert-butyl-2-fluoro-6-methoxypurine.
What is the SMILES notation for 9-tert-butyl-2-fluoro-6-methoxypurine?
The canonical SMILES for 9-tert-butyl-2-fluoro-6-methoxypurine is COc1nc(F)nc2c1ncn2C(C)(C)C.
What is the InChIKey of 9-tert-butyl-2-fluoro-6-methoxypurine?
The InChIKey is SWMZHCCLIUPXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O/c1-10(2,3)15-5-12-6-7(15)13-9(11)14-8(6)16-4/h5H,1-4H3.
What are the key properties of 9-tert-butyl-2-fluoro-6-methoxypurine?
9-tert-butyl-2-fluoro-6-methoxypurine has a molecular weight of 224.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-2-fluoro-6-methoxypurine is sourced from PubChem (CID 142303808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).