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

C13H21N5O2 — CID 82465748

IUPAC7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
SMILESCCCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN
InChIInChI=1S/C13H21N5O2/c1-4-6-9-15-11-10(18(9)8-5-7-14)12(19)17(3)13(20)16(11)2/h4-8,14H2,1-3H3
InChIKeyHYQZXJPDZMVTAT-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.26
Rot. Bonds5

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

7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione (PubChem CID 82465748) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione.

Molecular Properties

Compound Name7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
PubChem CID82465748
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
SMILESCCCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN
InChIInChI=1S/C13H21N5O2/c1-4-6-9-15-11-10(18(9)8-5-7-14)12(19)17(3)13(20)16(11)2/h4-8,14H2,1-3H3
InChIKeyHYQZXJPDZMVTAT-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

Analyze 7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463916
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
1-(3-aminopropyl)-7-ethyl-8-(methoxymethyl)-3-methylpurine-2,6-dione
CID 82466508
8-(2-aminoethylamino)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463924
7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
CID 20846594
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
7-(3-aminopropyl)-3-ethyl-1,8-dimethylpurine-2,6-dione
CID 82465806
1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297
1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione
CID 82466583
7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
CID 54323379

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione?
The IUPAC name of 7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione (CID 82465748) is 7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione.
What is the SMILES notation for 7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione?
The canonical SMILES for 7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione is CCCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN.
What is the InChIKey of 7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione?
The InChIKey is HYQZXJPDZMVTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-6-9-15-11-10(18(9)8-5-7-14)12(19)17(3)13(20)16(11)2/h4-8,14H2,1-3H3.
What are the key properties of 7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione?
7-(3-aminopropyl)-1,3-dimethyl-8-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 7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione is sourced from PubChem (CID 82465748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).