3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione

C15H24N4O2 — CID 130281460

IUPAC3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione
SMILESCCC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C15H24N4O2/c1-5-11(2)8-6-7-9-19-14(20)12-13(16-10-17(12)3)18(4)15(19)21/h10-11H,5-9H2,1-4H3
InChIKeyWHAZWMWQJULXPR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.65
Rot. Bonds6

About 3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione

3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione (PubChem CID 130281460) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione.

Molecular Properties

Compound Name3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione
PubChem CID130281460
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione
SMILESCCC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C15H24N4O2/c1-5-11(2)8-6-7-9-19-14(20)12-13(16-10-17(12)3)18(4)15(19)21/h10-11H,5-9H2,1-4H3
InChIKeyWHAZWMWQJULXPR-UHFFFAOYSA-N
XLogP1.65
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(6R)-6-hydroxyheptyl]-3,7-dimethylpurine-2,6-dione
CID 54470110
3,7-dimethyl-1-(11-nitrosododecyl)purine-2,6-dione
CID 91024621
3,7-dimethyl-1-(5-trimethylsilyloxyhexyl)purine-2,6-dione
CID 525001
1-(9-hydroxydodecyl)-3,7-dimethylpurine-2,6-dione
CID 139678925
1-[(5S)-5,6-dihydroxyhexyl]-3,7-dimethylpurine-2,6-dione
CID 154733528
[(2S)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] acetate
CID 71312941
11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecanal
CID 54527415
[(2S)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] methanesulfonate
CID 54003857
1-(7-bromoheptyl)-3,7-dimethylpurine-2,6-dione
CID 23313665
1-[(4S)-7,8-dihydroxy-4,8-dimethylnonyl]-3,7-dimethylpurine-2,6-dione
CID 22941883
6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-amino-3-methylbutanoate
CID 10068289
3,7-dimethyl-1-non-6-enylpurine-2,6-dione
CID 54050333

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione?
The IUPAC name of 3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione (CID 130281460) is 3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione.
What is the SMILES notation for 3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione?
The canonical SMILES for 3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione is CCC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.
What is the InChIKey of 3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione?
The InChIKey is WHAZWMWQJULXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-11(2)8-6-7-9-19-14(20)12-13(16-10-17(12)3)18(4)15(19)21/h10-11H,5-9H2,1-4H3.
What are the key properties of 3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione?
3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione has a molecular weight of 292.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-(5-methylheptyl)purine-2,6-dione is sourced from PubChem (CID 130281460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).