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

C15H25N5O2 — CID 82466600

IUPAC1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(CC(C)(C)N)c(=O)c2c1nc(C)n2CC
InChIInChI=1S/C15H25N5O2/c1-6-8-19-12-11(18(7-2)10(3)17-12)13(21)20(14(19)22)9-15(4,5)16/h6-9,16H2,1-5H3
InChIKeyQNAGVWZIYGIMTG-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.84
Rot. Bonds5

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

1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione (PubChem CID 82466600) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione
PubChem CID82466600
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(CC(C)(C)N)c(=O)c2c1nc(C)n2CC
InChIInChI=1S/C15H25N5O2/c1-6-8-19-12-11(18(7-2)10(3)17-12)13(21)20(14(19)22)9-15(4,5)16/h6-9,16H2,1-5H3
InChIKeyQNAGVWZIYGIMTG-UHFFFAOYSA-N
XLogP0.84
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-amino-2-methylpropyl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466472
1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione
CID 82466482
1-(2-aminoethyl)-7-ethyl-3-(3-methoxypropyl)-8-methylpurine-2,6-dione
CID 82466657
7-(3-aminopropyl)-3-ethyl-1,8-dimethylpurine-2,6-dione
CID 82465806
1,7-diethyl-2,6-dioxo-3-propylpurine-8-carboxylic acid
CID 82464642
3-(7-ethyl-3,8-dimethyl-2,6-dioxopurin-1-yl)propanenitrile
CID 51058636
2-(3,8-dimethyl-2,6-dioxo-7-propylpurin-1-yl)acetonitrile
CID 51058625
7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine
CID 20562628
3-butyl-1-ethyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione
CID 110882468
7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
CID 82464656
3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione
CID 15667115

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione?
The IUPAC name of 1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione (CID 82466600) is 1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione is CCCn1c(=O)n(CC(C)(C)N)c(=O)c2c1nc(C)n2CC.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione?
The InChIKey is QNAGVWZIYGIMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-6-8-19-12-11(18(7-2)10(3)17-12)13(21)20(14(19)22)9-15(4,5)16/h6-9,16H2,1-5H3.
What are the key properties of 1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione?
1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione has a molecular weight of 307.40 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione is sourced from PubChem (CID 82466600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).