7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione

C13H21N5O2 — CID 82465662

IUPAC7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione
SMILESCCn1c(=O)c2c(ncn2CC(C)(C)N)n(CC)c1=O
InChIInChI=1S/C13H21N5O2/c1-5-17-10-9(11(19)18(6-2)12(17)20)16(8-15-10)7-13(3,4)14/h8H,5-7,14H2,1-4H3
InChIKeyVVFVLVSGNPSEGI-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.14
Rot. Bonds4

About 7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione

7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione (PubChem CID 82465662) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione
PubChem CID82465662
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione
SMILESCCn1c(=O)c2c(ncn2CC(C)(C)N)n(CC)c1=O
InChIInChI=1S/C13H21N5O2/c1-5-17-10-9(11(19)18(6-2)12(17)20)16(8-15-10)7-13(3,4)14/h8H,5-7,14H2,1-4H3
InChIKeyVVFVLVSGNPSEGI-UHFFFAOYSA-N
XLogP0.14
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione
CID 67820183
1-(2-aminoethyl)-3-butyl-7-ethylpurine-2,6-dione
CID 82466610
1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione
CID 82466611
1-(4-aminobutyl)-3-ethyl-7-methylpurine-2,6-dione
CID 82466206
3-benzyl-1-[(4-tert-butylphenyl)methyl]-7-ethylpurine-2,6-dione
CID 3442382
1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine
CID 70591246
1,3-dibutyl-7-(3-hydroxypropyl)purine-2,6-dione
CID 57299123
1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione
CID 82466600
7-[(3-bromo-4-methoxyphenyl)methyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-ethylpurine-2,6-dione
CID 23527081
3-benzyl-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-7-ethylpurine-2,6-dione
CID 4027315
1-ethyl-3-(4-methylphenyl)-7-propylpurine-2,6-dione
CID 46158911
2-[[1-ethyl-3-(4-methylphenyl)-2,6-dioxopurin-7-yl]methyl]benzonitrile
CID 42863097

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione?
The IUPAC name of 7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione (CID 82465662) is 7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione.
What is the SMILES notation for 7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione?
The canonical SMILES for 7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione is CCn1c(=O)c2c(ncn2CC(C)(C)N)n(CC)c1=O.
What is the InChIKey of 7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione?
The InChIKey is VVFVLVSGNPSEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-5-17-10-9(11(19)18(6-2)12(17)20)16(8-15-10)7-13(3,4)14/h8H,5-7,14H2,1-4H3.
What are the key properties of 7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione?
7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione has a molecular weight of 279.34 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione is sourced from PubChem (CID 82465662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).