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

C13H21N5O2 — CID 82465873

IUPAC7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(CC)n2CCN
InChIInChI=1S/C13H21N5O2/c1-4-7-18-11-10(12(19)16(3)13(18)20)17(8-6-14)9(5-2)15-11/h4-8,14H2,1-3H3
InChIKeyKHMALPSUUVKOSC-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.17
Rot. Bonds5

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

7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione (PubChem CID 82465873) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
PubChem CID82465873
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(CC)n2CCN
InChIInChI=1S/C13H21N5O2/c1-4-7-18-11-10(12(19)16(3)13(18)20)17(8-6-14)9(5-2)15-11/h4-8,14H2,1-3H3
InChIKeyKHMALPSUUVKOSC-UHFFFAOYSA-N
XLogP-0.17
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297
1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
CID 82466304
1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione
CID 82466367
7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465860
7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
CID 82466091
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
CID 82465892
7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
CID 82464656

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione?
The IUPAC name of 7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione (CID 82465873) is 7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione.
What is the SMILES notation for 7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione?
The canonical SMILES for 7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione is CCCn1c(=O)n(C)c(=O)c2c1nc(CC)n2CCN.
What is the InChIKey of 7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione?
The InChIKey is KHMALPSUUVKOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-7-18-11-10(12(19)16(3)13(18)20)17(8-6-14)9(5-2)15-11/h4-8,14H2,1-3H3.
What are the key properties of 7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione?
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione has a molecular weight of 279.34 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione is sourced from PubChem (CID 82465873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).