1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione

C14H23N5O2 — CID 16802673

IUPAC1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione
SMILESCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C
InChIInChI=1S/C14H23N5O2/c1-6-7-15-13-16-11-10(19(13)8-9(2)3)12(20)18(5)14(21)17(11)4/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyOAZXLJKSQQPHKO-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.91
Rot. Bonds5

About 1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione

1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione (PubChem CID 16802673) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione
PubChem CID16802673
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione
SMILESCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C
InChIInChI=1S/C14H23N5O2/c1-6-7-15-13-16-11-10(19(13)8-9(2)3)12(20)18(5)14(21)17(11)4/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyOAZXLJKSQQPHKO-UHFFFAOYSA-N
XLogP0.91
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione
CID 42476761
8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
CID 82463911
7-[(2S)-2-chloropropyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione
CID 7164723
7-(2,3-dihydroxypropyl)-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione
CID 3066707
8-(2-aminoethylamino)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463924
2-[(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]ethyl-dimethylazanium
CID 3620443
[3-[1,3-dimethyl-2,6-dioxo-8-(propylamino)purin-7-yl]-2-hydroxypropyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110175180
2-[(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 27370820
1,3-dimethyl-8-(3-methylbutylamino)-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 4979732
8-(butylamino)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 3657906
7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
CID 719396
8-(butan-2-ylamino)-7-ethyl-1,3-dimethylpurine-2,6-dione
CID 16805287

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione (CID 16802673) is 1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione is CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C.
What is the InChIKey of 1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione?
The InChIKey is OAZXLJKSQQPHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-6-7-15-13-16-11-10(19(13)8-9(2)3)12(20)18(5)14(21)17(11)4/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione?
1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione is sourced from PubChem (CID 16802673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).