7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione

C12H19N5O2 — CID 82465688

IUPAC7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione
SMILESCC(CN)n1cnc2c1c(=O)n(C)c(=O)n2C(C)C
InChIInChI=1S/C12H19N5O2/c1-7(2)17-10-9(11(18)15(4)12(17)19)16(6-14-10)8(3)5-13/h6-8H,5,13H2,1-4H3
InChIKeyXMCYKDOVTYKIAI-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.00
Rot. Bonds3

About 7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione

7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione (PubChem CID 82465688) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione
PubChem CID82465688
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione
SMILESCC(CN)n1cnc2c1c(=O)n(C)c(=O)n2C(C)C
InChIInChI=1S/C12H19N5O2/c1-7(2)17-10-9(11(18)15(4)12(17)19)16(6-14-10)8(3)5-13/h6-8H,5,13H2,1-4H3
InChIKeyXMCYKDOVTYKIAI-UHFFFAOYSA-N
XLogP-0.00
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione
CID 82465577
1,3-dimethyl-7-(4-phenylbutan-2-yl)purine-2,6-dione
CID 60529422
(2S)-2-[3-(difluoromethyl)-1-methyl-2,6-dioxopurin-7-yl]propanoic acid
CID 118471953
7-(difluoromethyl)-1,3-dimethylpurine-2,6-dione;ethane
CID 145188712
ethyl (2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate
CID 26433996
7-cyclopropyl-3-methyl-1-propan-2-ylpurine-2,6-dione
CID 134381897
7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
CID 22105142
(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoic acid
CID 118471919
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoyl chloride
CID 123768598
7-(2-aminoethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 2965224
8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione
CID 82464557
7-(1-aminopropan-2-yl)-3-(3-methoxypropyl)purine-2,6-dione
CID 82465652

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione?
The IUPAC name of 7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione (CID 82465688) is 7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione.
What is the SMILES notation for 7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione?
The canonical SMILES for 7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione is CC(CN)n1cnc2c1c(=O)n(C)c(=O)n2C(C)C.
What is the InChIKey of 7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione?
The InChIKey is XMCYKDOVTYKIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-7(2)17-10-9(11(18)15(4)12(17)19)16(6-14-10)8(3)5-13/h6-8H,5,13H2,1-4H3.
What are the key properties of 7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione?
7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione is sourced from PubChem (CID 82465688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).