7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine

C14H24N4O — CID 176780317

IUPAC7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine
SMILESCC(C)Oc1ncnc2c1N(C(C)C)CN2C(C)C
InChIInChI=1S/C14H24N4O/c1-9(2)17-8-18(10(3)4)13-12(17)14(16-7-15-13)19-11(5)6/h7,9-11H,8H2,1-6H3
InChIKeyQJVIQDUOVYFHMA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.66
Rot. Bonds4

About 7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine

7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine (PubChem CID 176780317) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine.

Molecular Properties

Compound Name7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine
PubChem CID176780317
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine
SMILESCC(C)Oc1ncnc2c1N(C(C)C)CN2C(C)C
InChIInChI=1S/C14H24N4O/c1-9(2)17-8-18(10(3)4)13-12(17)14(16-7-15-13)19-11(5)6/h7,9-11H,8H2,1-6H3
InChIKeyQJVIQDUOVYFHMA-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine?
The IUPAC name of 7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine (CID 176780317) is 7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine.
What is the SMILES notation for 7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine?
The canonical SMILES for 7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine is CC(C)Oc1ncnc2c1N(C(C)C)CN2C(C)C.
What is the InChIKey of 7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine?
The InChIKey is QJVIQDUOVYFHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)17-8-18(10(3)4)13-12(17)14(16-7-15-13)19-11(5)6/h7,9-11H,8H2,1-6H3.
What are the key properties of 7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine?
7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine has a molecular weight of 264.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-di(propan-2-yl)-6-propan-2-yloxy-8H-purine is sourced from PubChem (CID 176780317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).