7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione

C12H19N5O2 — CID 82465679

IUPAC7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione
SMILESCCC(N)Cn1cnc2c1c(=O)[nH]c(=O)n2C(C)C
InChIInChI=1S/C12H19N5O2/c1-4-8(13)5-16-6-14-10-9(16)11(18)15-12(19)17(10)7(2)3/h6-8H,4-5,13H2,1-3H3,(H,15,18,19)
InChIKeyHURMTGGCWPJJLI-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.20
Rot. Bonds4

About 7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione

7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione (PubChem CID 82465679) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione
PubChem CID82465679
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione
SMILESCCC(N)Cn1cnc2c1c(=O)[nH]c(=O)n2C(C)C
InChIInChI=1S/C12H19N5O2/c1-4-8(13)5-16-6-14-10-9(16)11(18)15-12(19)17(10)7(2)3/h6-8H,4-5,13H2,1-3H3,(H,15,18,19)
InChIKeyHURMTGGCWPJJLI-UHFFFAOYSA-N
XLogP0.20
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-phenylethyl)-3-propan-2-ylpurine-2,6-dione
CID 175239841
7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 82465531
7-benzyl-3-propan-2-ylpurine-2,6-dione;7-benzyl-3H-purine-2,6-dione;2-iodopropane
CID 162045659
7-(3-aminopropyl)-3-ethylpurine-2,6-dione
CID 82465591
1-(2-aminobutyl)pyrimidin-2-one
CID 62040793
1-(2-aminobutyl)-7-ethyl-3-methylpurine-2,6-dione
CID 82466462
3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione
CID 154323875
1-(4,5-dimethylimidazol-1-yl)butan-2-amine
CID 62350728
8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464051
(3-methyl-2,6-dioxopurin-7-yl)methyl 2,2-dimethylpropanoate
CID 102157464
3-methyl-7-[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)butyl]purine-2,6-dione
CID 70461722
7-(3-aminopropyl)-3-(3-methoxypropyl)purine-2,6-dione
CID 82465650

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione?
The IUPAC name of 7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione (CID 82465679) is 7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione.
What is the SMILES notation for 7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione?
The canonical SMILES for 7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione is CCC(N)Cn1cnc2c1c(=O)[nH]c(=O)n2C(C)C.
What is the InChIKey of 7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione?
The InChIKey is HURMTGGCWPJJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-8(13)5-16-6-14-10-9(16)11(18)15-12(19)17(10)7(2)3/h6-8H,4-5,13H2,1-3H3,(H,15,18,19).
What are the key properties of 7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione?
7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione is sourced from PubChem (CID 82465679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).