6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine

C15H22N4O — CID 15277786

IUPAC6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine
SMILESCC(C)(C)Cc1ncnc2c1ncn2C1CCCCO1
InChIInChI=1S/C15H22N4O/c1-15(2,3)8-11-13-14(17-9-16-11)19(10-18-13)12-6-4-5-7-20-12/h9-10,12H,4-8H2,1-3H3
InChIKeyAQBAGGFAPBHLFW-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.11
Rot. Bonds2

About 6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine

6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine (PubChem CID 15277786) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine
PubChem CID15277786
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine
SMILESCC(C)(C)Cc1ncnc2c1ncn2C1CCCCO1
InChIInChI=1S/C15H22N4O/c1-15(2,3)8-11-13-14(17-9-16-11)19(10-18-13)12-6-4-5-7-20-12/h9-10,12H,4-8H2,1-3H3
InChIKeyAQBAGGFAPBHLFW-UHFFFAOYSA-N
XLogP3.11
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(oxan-2-yl)-6-propan-2-ylpurine
CID 15277787
6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine
CID 118310061
6-(3,3-diethoxyprop-1-ynyl)-9-(oxan-2-yl)purine
CID 57328184
9-(oxan-2-yl)-N-[3-(trifluoromethyl)phenyl]purin-6-amine
CID 71578828
2,6-difluoro-9-(oxan-2-yl)purine
CID 155436461
2-chloro-4-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol
CID 53390775
9-(oxan-2-yl)-6-[(E)-2-thiophen-2-ylethenyl]purine
CID 10828923
(3Z)-N-methyl-3-[9-(oxan-2-yl)purin-6-yl]hexa-3,5-dien-2-imine
CID 169200073
N-methyl-1-[4-[9-(oxan-2-yl)purin-6-yl]phenyl]methanamine;4-[9-(oxan-2-yl)purin-6-yl]benzaldehyde
CID 157497420
2-methoxy-6-methyl-9-(oxan-2-yl)purine
CID 133059804
2-fluoro-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide
CID 71578226
2-fluoro-N-(3-methylbut-3-enyl)-9-(oxepan-2-yl)purin-6-amine
CID 162440855

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine?
The IUPAC name of 6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine (CID 15277786) is 6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine?
The canonical SMILES for 6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine is CC(C)(C)Cc1ncnc2c1ncn2C1CCCCO1.
What is the InChIKey of 6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine?
The InChIKey is AQBAGGFAPBHLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)8-11-13-14(17-9-16-11)19(10-18-13)12-6-4-5-7-20-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine?
6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine has a molecular weight of 274.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine is sourced from PubChem (CID 15277786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).