8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione

C14H23N5O2 — CID 82463916

IUPAC8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione
SMILESCCCCn1c(CCCN)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H23N5O2/c1-4-5-9-19-10(7-6-8-15)16-12-11(19)13(20)18(3)14(21)17(12)2/h4-9,15H2,1-3H3
InChIKeyODGKROLYMUEDGO-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.13
Rot. Bonds6

About 8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione

8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione (PubChem CID 82463916) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione
PubChem CID82463916
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione
SMILESCCCCn1c(CCCN)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H23N5O2/c1-4-5-9-19-10(7-6-8-15)16-12-11(19)13(20)18(3)14(21)17(12)2/h4-9,15H2,1-3H3
InChIKeyODGKROLYMUEDGO-UHFFFAOYSA-N
XLogP0.13
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
8-(2-aminoethylamino)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463924
ethyl 4-[(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate
CID 666088
7-butyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine;hydrochloride
CID 20562670
7-butyl-8-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 7366490
8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione
CID 82463751
7-butyl-8-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 7008506
8-bromo-1,3-dimethyl-7-nonylpurine-2,6-dione
CID 82018549
8-bromo-7-heptyl-1,3-dimethylpurine-2,6-dione
CID 3137699
7-butyl-1,3,8-trimethylpurine-2,6-dione;N-propylpropan-1-amine
CID 20562678

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione (CID 82463916) is 8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione is CCCCn1c(CCCN)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione?
The InChIKey is ODGKROLYMUEDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-5-9-19-10(7-6-8-15)16-12-11(19)13(20)18(3)14(21)17(12)2/h4-9,15H2,1-3H3.
What are the key properties of 8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione?
8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 82463916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).