7-(3-aminopropyl)-3-ethylpurine-2,6-dione

C10H15N5O2 — CID 82465591

IUPAC7-(3-aminopropyl)-3-ethylpurine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1ncn2CCCN
InChIInChI=1S/C10H15N5O2/c1-2-15-8-7(9(16)13-10(15)17)14(6-12-8)5-3-4-11/h6H,2-5,11H2,1H3,(H,13,16,17)
InChIKeyWJLLJHLMYAARRY-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.75
Rot. Bonds4

About 7-(3-aminopropyl)-3-ethylpurine-2,6-dione

7-(3-aminopropyl)-3-ethylpurine-2,6-dione (PubChem CID 82465591) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 7-(3-aminopropyl)-3-ethylpurine-2,6-dione.

Molecular Properties

Compound Name7-(3-aminopropyl)-3-ethylpurine-2,6-dione
PubChem CID82465591
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name7-(3-aminopropyl)-3-ethylpurine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1ncn2CCCN
InChIInChI=1S/C10H15N5O2/c1-2-15-8-7(9(16)13-10(15)17)14(6-12-8)5-3-4-11/h6H,2-5,11H2,1H3,(H,13,16,17)
InChIKeyWJLLJHLMYAARRY-UHFFFAOYSA-N
XLogP-0.75
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3-aminopropyl)-3-(3-methoxypropyl)purine-2,6-dione
CID 82465650
CID 70394706
CID 70394706
3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione
CID 82465600
3-(chloromethyl)-7-methylpurine-2,6-dione
CID 150670928
3-(ethylaminomethyl)-7-methylpurine-2,6-dione
CID 172774633
1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione
CID 82466611
8-amino-3-ethyl-7-methylpurine-2,6-dione
CID 82463984
3-butyl-7-(piperidin-4-ylmethyl)purine-2,6-dione
CID 82465638
1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione
CID 66328161
3-methyl-7-(5-phenoxypentyl)purine-2,6-dione
CID 54276959
3-(3-hydroxybutyl)-7-methylpurine-2,6-dione
CID 163944099
7-(2-phenylethyl)-3-propan-2-ylpurine-2,6-dione
CID 175239841

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropyl)-3-ethylpurine-2,6-dione?
The IUPAC name of 7-(3-aminopropyl)-3-ethylpurine-2,6-dione (CID 82465591) is 7-(3-aminopropyl)-3-ethylpurine-2,6-dione.
What is the SMILES notation for 7-(3-aminopropyl)-3-ethylpurine-2,6-dione?
The canonical SMILES for 7-(3-aminopropyl)-3-ethylpurine-2,6-dione is CCn1c(=O)[nH]c(=O)c2c1ncn2CCCN.
What is the InChIKey of 7-(3-aminopropyl)-3-ethylpurine-2,6-dione?
The InChIKey is WJLLJHLMYAARRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-15-8-7(9(16)13-10(15)17)14(6-12-8)5-3-4-11/h6H,2-5,11H2,1H3,(H,13,16,17).
What are the key properties of 7-(3-aminopropyl)-3-ethylpurine-2,6-dione?
7-(3-aminopropyl)-3-ethylpurine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropyl)-3-ethylpurine-2,6-dione is sourced from PubChem (CID 82465591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).