3,7,9-tripropyl-8H-purine-2,6-dione

C14H24N4O2 — CID 141142867

IUPAC3,7,9-tripropyl-8H-purine-2,6-dione
SMILESCCCN1CN(CCC)c2c1c(=O)[nH]c(=O)n2CCC
InChIInChI=1S/C14H24N4O2/c1-4-7-16-10-17(8-5-2)13-11(16)12(19)15-14(20)18(13)9-6-3/h4-10H2,1-3H3,(H,15,19,20)
InChIKeyVMFZZIBYELECOL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.35
Rot. Bonds6

About 3,7,9-tripropyl-8H-purine-2,6-dione

3,7,9-tripropyl-8H-purine-2,6-dione (PubChem CID 141142867) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3,7,9-tripropyl-8H-purine-2,6-dione.

Molecular Properties

Compound Name3,7,9-tripropyl-8H-purine-2,6-dione
PubChem CID141142867
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3,7,9-tripropyl-8H-purine-2,6-dione
SMILESCCCN1CN(CCC)c2c1c(=O)[nH]c(=O)n2CCC
InChIInChI=1S/C14H24N4O2/c1-4-7-16-10-17(8-5-2)13-11(16)12(19)15-14(20)18(13)9-6-3/h4-10H2,1-3H3,(H,15,19,20)
InChIKeyVMFZZIBYELECOL-UHFFFAOYSA-N
XLogP1.35
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-3-propyl-1H-imidazol-2-one
CID 131155621
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione
CID 103725158
9-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-8H-purine-2,6-dione
CID 69047176
9-(3-methyl-5-oxohexyl)-7-propyl-3,8-dihydropurine-2,6-dione
CID 57052548
4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one
CID 90737377
5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione
CID 143198269
6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione
CID 83026863
9-(5-hydroxyheptyl)-3,7-dimethyl-8H-purine-2,6-dione
CID 67735623
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
2,4-dioxo-1-propylquinazoline-7-sulfonic acid
CID 22642133

Frequently Asked Questions

What is the IUPAC name of 3,7,9-tripropyl-8H-purine-2,6-dione?
The IUPAC name of 3,7,9-tripropyl-8H-purine-2,6-dione (CID 141142867) is 3,7,9-tripropyl-8H-purine-2,6-dione.
What is the SMILES notation for 3,7,9-tripropyl-8H-purine-2,6-dione?
The canonical SMILES for 3,7,9-tripropyl-8H-purine-2,6-dione is CCCN1CN(CCC)c2c1c(=O)[nH]c(=O)n2CCC.
What is the InChIKey of 3,7,9-tripropyl-8H-purine-2,6-dione?
The InChIKey is VMFZZIBYELECOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-7-16-10-17(8-5-2)13-11(16)12(19)15-14(20)18(13)9-6-3/h4-10H2,1-3H3,(H,15,19,20).
What are the key properties of 3,7,9-tripropyl-8H-purine-2,6-dione?
3,7,9-tripropyl-8H-purine-2,6-dione has a molecular weight of 280.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9-tripropyl-8H-purine-2,6-dione is sourced from PubChem (CID 141142867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).