7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione

C12H19N5O2 — CID 51058603

IUPAC7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
SMILESCCCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN
InChIInChI=1S/C12H19N5O2/c1-4-5-8-14-10-9(17(8)7-6-13)11(18)16(3)12(19)15(10)2/h4-7,13H2,1-3H3
InChIKeyAFCQIUAGLSUWNM-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.66
Rot. Bonds4

About 7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione

7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione (PubChem CID 51058603) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
PubChem CID51058603
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
SMILESCCCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN
InChIInChI=1S/C12H19N5O2/c1-4-5-8-14-10-9(17(8)7-6-13)11(18)16(3)12(19)15(10)2/h4-7,13H2,1-3H3
InChIKeyAFCQIUAGLSUWNM-UHFFFAOYSA-N
XLogP-0.66
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463916
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297
1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione
CID 82466583
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465860
7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 12506348
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
CID 54323379
7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione
CID 610046

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione?
The IUPAC name of 7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione (CID 51058603) is 7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione.
What is the SMILES notation for 7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione?
The canonical SMILES for 7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione is CCCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN.
What is the InChIKey of 7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione?
The InChIKey is AFCQIUAGLSUWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-5-8-14-10-9(17(8)7-6-13)11(18)16(3)12(19)15(10)2/h4-7,13H2,1-3H3.
What are the key properties of 7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione?
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of -0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione is sourced from PubChem (CID 51058603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).