9-(oxan-2-yl)-6-propan-2-ylpurine

C13H18N4O — CID 15277787

IUPAC9-(oxan-2-yl)-6-propan-2-ylpurine
SMILESCC(C)c1ncnc2c1ncn2C1CCCCO1
InChIInChI=1S/C13H18N4O/c1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-18-10/h7-10H,3-6H2,1-2H3
InChIKeyBJZRPYUTWCGARK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.65
Rot. Bonds2

About 9-(oxan-2-yl)-6-propan-2-ylpurine

9-(oxan-2-yl)-6-propan-2-ylpurine (PubChem CID 15277787) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 9-(oxan-2-yl)-6-propan-2-ylpurine.

Molecular Properties

Compound Name9-(oxan-2-yl)-6-propan-2-ylpurine
PubChem CID15277787
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name9-(oxan-2-yl)-6-propan-2-ylpurine
SMILESCC(C)c1ncnc2c1ncn2C1CCCCO1
InChIInChI=1S/C13H18N4O/c1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-18-10/h7-10H,3-6H2,1-2H3
InChIKeyBJZRPYUTWCGARK-UHFFFAOYSA-N
XLogP2.65
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(oxan-2-yl)-6-propan-2-ylpurine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine
CID 176926702
6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine
CID 15277786
6-(3,3-diethoxyprop-1-ynyl)-9-(oxan-2-yl)purine
CID 57328184
6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine
CID 118310061
9-(oxan-2-yl)-6-[(E)-2-thiophen-2-ylethenyl]purine
CID 10828923
N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine
CID 135129621
(3Z)-N-methyl-3-[9-(oxan-2-yl)purin-6-yl]hexa-3,5-dien-2-imine
CID 169200073
9-(oxan-2-yl)-N-[3-(trifluoromethyl)phenyl]purin-6-amine
CID 71578828
N-methyl-1-[4-[9-(oxan-2-yl)purin-6-yl]phenyl]methanamine;4-[9-(oxan-2-yl)purin-6-yl]benzaldehyde
CID 157497420
2,6-difluoro-9-(oxan-2-yl)purine
CID 155436461
2-methoxy-6-methyl-9-(oxan-2-yl)purine
CID 133059804
2-chloro-4-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol
CID 53390775

Frequently Asked Questions

What is the IUPAC name of 9-(oxan-2-yl)-6-propan-2-ylpurine?
The IUPAC name of 9-(oxan-2-yl)-6-propan-2-ylpurine (CID 15277787) is 9-(oxan-2-yl)-6-propan-2-ylpurine.
What is the SMILES notation for 9-(oxan-2-yl)-6-propan-2-ylpurine?
The canonical SMILES for 9-(oxan-2-yl)-6-propan-2-ylpurine is CC(C)c1ncnc2c1ncn2C1CCCCO1.
What is the InChIKey of 9-(oxan-2-yl)-6-propan-2-ylpurine?
The InChIKey is BJZRPYUTWCGARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-18-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 9-(oxan-2-yl)-6-propan-2-ylpurine?
9-(oxan-2-yl)-6-propan-2-ylpurine has a molecular weight of 246.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-2-yl)-6-propan-2-ylpurine is sourced from PubChem (CID 15277787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).