2-fluoro-8-methoxy-7H-purine

C6H5FN4O — CID 142660264

IUPAC2-fluoro-8-methoxy-7H-purine
SMILESCOc1nc2nc(F)ncc2[nH]1
InChIInChI=1S/C6H5FN4O/c1-12-6-9-3-2-8-5(7)10-4(3)11-6/h2H,1H3,(H,8,9,10,11)
InChIKeyRBDCMWHPTLKCTP-UHFFFAOYSA-N
MW168.13 g/mol
LogP0.50
Rot. Bonds1

About 2-fluoro-8-methoxy-7H-purine

2-fluoro-8-methoxy-7H-purine (PubChem CID 142660264) has the molecular formula C6H5FN4O and a molecular weight of 168.13 g/mol. Its IUPAC name is 2-fluoro-8-methoxy-7H-purine.

Molecular Properties

Compound Name2-fluoro-8-methoxy-7H-purine
PubChem CID142660264
Molecular FormulaC6H5FN4O
Molecular Weight168.13 g/mol
Exact Mass168.04
IUPAC Name2-fluoro-8-methoxy-7H-purine
SMILESCOc1nc2nc(F)ncc2[nH]1
InChIInChI=1S/C6H5FN4O/c1-12-6-9-3-2-8-5(7)10-4(3)11-6/h2H,1H3,(H,8,9,10,11)
InChIKeyRBDCMWHPTLKCTP-UHFFFAOYSA-N
XLogP0.50
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-methoxy-7H-purine?
The IUPAC name of 2-fluoro-8-methoxy-7H-purine (CID 142660264) is 2-fluoro-8-methoxy-7H-purine.
What is the SMILES notation for 2-fluoro-8-methoxy-7H-purine?
The canonical SMILES for 2-fluoro-8-methoxy-7H-purine is COc1nc2nc(F)ncc2[nH]1.
What is the InChIKey of 2-fluoro-8-methoxy-7H-purine?
The InChIKey is RBDCMWHPTLKCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN4O/c1-12-6-9-3-2-8-5(7)10-4(3)11-6/h2H,1H3,(H,8,9,10,11).
What are the key properties of 2-fluoro-8-methoxy-7H-purine?
2-fluoro-8-methoxy-7H-purine has a molecular weight of 168.13 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-methoxy-7H-purine is sourced from PubChem (CID 142660264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).