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

C15H24N6O2 — CID 20846594

IUPAC7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(N3CCCCC3)n2CCCN)n(C)c1=O
InChIInChI=1S/C15H24N6O2/c1-18-12-11(13(22)19(2)15(18)23)21(10-6-7-16)14(17-12)20-8-4-3-5-9-20/h3-10,16H2,1-2H3
InChIKeyMNZUROAQBFMEDT-UHFFFAOYSA-N
MW320.40 g/mol
LogP-0.23
Rot. Bonds4

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

7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione (PubChem CID 20846594) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione.

Molecular Properties

Compound Name7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
PubChem CID20846594
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(N3CCCCC3)n2CCCN)n(C)c1=O
InChIInChI=1S/C15H24N6O2/c1-18-12-11(13(22)19(2)15(18)23)21(10-6-7-16)14(17-12)20-8-4-3-5-9-20/h3-10,16H2,1-2H3
InChIKeyMNZUROAQBFMEDT-UHFFFAOYSA-N
XLogP-0.23
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[8-(azepan-1-yl)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
CID 16805311
1,3-dimethyl-7-(3-phenoxypropyl)-8-piperidin-1-ylpurine-2,6-dione
CID 30842756
7-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)propyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
CID 3709446
1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione
CID 981029
1,3-dimethyl-7-phenacyl-8-piperidin-1-ylpurine-2,6-dione
CID 1036712
8-(azepan-1-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
CID 1092011
8-(azepan-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
CID 983107
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
CID 1105416
7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
1,3-dimethyl-7-[2-(morpholin-4-ium-4-ylidenemethylamino)ethyl]-8-piperidin-1-ylpurine-2,6-dione
CID 4609015
7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
CID 3745166
7-(2-hydroxy-3-propan-2-yloxypropyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
CID 3161997

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The IUPAC name of 7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione (CID 20846594) is 7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
What is the SMILES notation for 7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The canonical SMILES for 7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione is Cn1c(=O)c2c(nc(N3CCCCC3)n2CCCN)n(C)c1=O.
What is the InChIKey of 7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The InChIKey is MNZUROAQBFMEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-18-12-11(13(22)19(2)15(18)23)21(10-6-7-16)14(17-12)20-8-4-3-5-9-20/h3-10,16H2,1-2H3.
What are the key properties of 7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione has a molecular weight of 320.40 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione is sourced from PubChem (CID 20846594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).