9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine

C15H22N4O — CID 176926702

IUPAC9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine
SMILESCC(C)c1nc(C(C)C)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C15H22N4O/c1-9(2)12-13-15(18-14(17-12)10(3)4)19(8-16-13)11-6-5-7-20-11/h8-11H,5-7H2,1-4H3
InChIKeyMMUWRYWZVLGAIX-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.38
Rot. Bonds3

About 9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine

9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine (PubChem CID 176926702) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine.

Molecular Properties

Compound Name9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine
PubChem CID176926702
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine
SMILESCC(C)c1nc(C(C)C)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C15H22N4O/c1-9(2)12-13-15(18-14(17-12)10(3)4)19(8-16-13)11-6-5-7-20-11/h8-11H,5-7H2,1-4H3
InChIKeyMMUWRYWZVLGAIX-UHFFFAOYSA-N
XLogP3.38
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine?
The IUPAC name of 9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine (CID 176926702) is 9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine.
What is the SMILES notation for 9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine?
The canonical SMILES for 9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine is CC(C)c1nc(C(C)C)c2ncn(C3CCCO3)c2n1.
What is the InChIKey of 9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine?
The InChIKey is MMUWRYWZVLGAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9(2)12-13-15(18-14(17-12)10(3)4)19(8-16-13)11-6-5-7-20-11/h8-11H,5-7H2,1-4H3.
What are the key properties of 9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine?
9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine has a molecular weight of 274.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine is sourced from PubChem (CID 176926702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).