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

C14H23N5O2 — CID 82466407

IUPAC1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione
SMILESCc1nc2c(c(=O)n(CCCN)c(=O)n2CC(C)C)n1C
InChIInChI=1S/C14H23N5O2/c1-9(2)8-19-12-11(17(4)10(3)16-12)13(20)18(14(19)21)7-5-6-15/h9H,5-8,15H2,1-4H3
InChIKeyAWXNDFVFDOVTMJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.21
Rot. Bonds5

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

1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione (PubChem CID 82466407) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione
PubChem CID82466407
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione
SMILESCc1nc2c(c(=O)n(CCCN)c(=O)n2CC(C)C)n1C
InChIInChI=1S/C14H23N5O2/c1-9(2)8-19-12-11(17(4)10(3)16-12)13(20)18(14(19)21)7-5-6-15/h9H,5-8,15H2,1-4H3
InChIKeyAWXNDFVFDOVTMJ-UHFFFAOYSA-N
XLogP0.21
TPSA87.84 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 ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-7-methyl-3-(2-methylpropyl)-8-propan-2-ylpurine-2,6-dione
CID 82466417
1-(2-aminoethyl)-8-cyclopropyl-7-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 82466419
7-(3-aminopropyl)-3-ethyl-1,8-dimethylpurine-2,6-dione
CID 82465806
1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione
CID 82466554
1-(1-aminopropan-2-yl)-7,8-dimethyl-3-propylpurine-2,6-dione
CID 82466284
3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione
CID 82466218
7-(4-aminobutyl)-3-(2-methoxyethyl)-1,8-dimethylpurine-2,6-dione
CID 82465968
1-(2-aminoethyl)-7-ethyl-3-(3-methoxypropyl)-8-methylpurine-2,6-dione
CID 82466657
1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
CID 82466304
1-[3-[3-(3-aminopropyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604420
1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione
CID 59057360

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione?
The IUPAC name of 1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione (CID 82466407) is 1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione.
What is the SMILES notation for 1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione?
The canonical SMILES for 1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione is Cc1nc2c(c(=O)n(CCCN)c(=O)n2CC(C)C)n1C.
What is the InChIKey of 1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione?
The InChIKey is AWXNDFVFDOVTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(2)8-19-12-11(17(4)10(3)16-12)13(20)18(14(19)21)7-5-6-15/h9H,5-8,15H2,1-4H3.
What are the key properties of 1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione?
1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione is sourced from PubChem (CID 82466407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).