8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine

C14H13FN4O — CID 167832358

IUPAC8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine
SMILESCC(C)Oc1ccc(-c2nc3ncncc3[nH]2)cc1F
InChIInChI=1S/C14H13FN4O/c1-8(2)20-12-4-3-9(5-10(12)15)13-18-11-6-16-7-17-14(11)19-13/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyZBJISCHHDAPSNF-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.95
Rot. Bonds3

About 8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine

8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine (PubChem CID 167832358) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine.

Molecular Properties

Compound Name8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine
PubChem CID167832358
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine
SMILESCC(C)Oc1ccc(-c2nc3ncncc3[nH]2)cc1F
InChIInChI=1S/C14H13FN4O/c1-8(2)20-12-4-3-9(5-10(12)15)13-18-11-6-16-7-17-14(11)19-13/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyZBJISCHHDAPSNF-UHFFFAOYSA-N
XLogP2.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine?
The IUPAC name of 8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine (CID 167832358) is 8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine.
What is the SMILES notation for 8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine?
The canonical SMILES for 8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine is CC(C)Oc1ccc(-c2nc3ncncc3[nH]2)cc1F.
What is the InChIKey of 8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine?
The InChIKey is ZBJISCHHDAPSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8(2)20-12-4-3-9(5-10(12)15)13-18-11-6-16-7-17-14(11)19-13/h3-8H,1-2H3,(H,16,17,18,19).
What are the key properties of 8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine?
8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine has a molecular weight of 272.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine is sourced from PubChem (CID 167832358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).