8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione

C13H21N5O2 — CID 82463751

IUPAC8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione
SMILESCCCn1c(CCCN)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C13H21N5O2/c1-4-8-18-9(6-5-7-14)15-10-11(18)16(2)13(20)17(3)12(10)19/h4-8,14H2,1-3H3
InChIKeyZRHYEBJDKTUDEQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.26
Rot. Bonds5

About 8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione

8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione (PubChem CID 82463751) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione.

Molecular Properties

Compound Name8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione
PubChem CID82463751
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione
SMILESCCCn1c(CCCN)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C13H21N5O2/c1-4-8-18-9(6-5-7-14)15-10-11(18)16(2)13(20)17(3)12(10)19/h4-8,14H2,1-3H3
InChIKeyZRHYEBJDKTUDEQ-UHFFFAOYSA-N
XLogP-0.26
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione
CID 82463698
1,3-dimethyl-8-(methylamino)-9-propylpurine-2,6-dione
CID 82463756
8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463916
8-amino-9-butyl-1,3-dimethylpurine-2,6-dione
CID 82463788
1,3-dimethyl-2,6-dioxo-9-propylpurine-8-carboxylic acid
CID 82463758
7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
4-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)butanoic acid
CID 82463679
8-(bromomethyl)-1,3,9-trimethylpurine-2,6-dione
CID 82463686
8-(3-aminopropylamino)-9-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
CID 82463819
1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione
CID 82463753
9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione
CID 82463817
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione?
The IUPAC name of 8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione (CID 82463751) is 8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione.
What is the SMILES notation for 8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione?
The canonical SMILES for 8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione is CCCn1c(CCCN)nc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of 8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione?
The InChIKey is ZRHYEBJDKTUDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-8-18-9(6-5-7-14)15-10-11(18)16(2)13(20)17(3)12(10)19/h4-8,14H2,1-3H3.
What are the key properties of 8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione?
8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione has a molecular weight of 279.34 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione is sourced from PubChem (CID 82463751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).