1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione

C15H25N5O2 — CID 82466554

IUPAC1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione
SMILESCCn1c(C(C)C)nc2c1c(=O)n(CCCN)c(=O)n2CC
InChIInChI=1S/C15H25N5O2/c1-5-18-11-13(17-12(18)10(3)4)19(6-2)15(22)20(14(11)21)9-7-8-16/h10H,5-9,16H2,1-4H3
InChIKeyMPEQKUYBQWTIRM-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.87
Rot. Bonds6

About 1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione

1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione (PubChem CID 82466554) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione
PubChem CID82466554
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione
SMILESCCn1c(C(C)C)nc2c1c(=O)n(CCCN)c(=O)n2CC
InChIInChI=1S/C15H25N5O2/c1-5-18-11-13(17-12(18)10(3)4)19(6-2)15(22)20(14(11)21)9-7-8-16/h10H,5-9,16H2,1-4H3
InChIKeyMPEQKUYBQWTIRM-UHFFFAOYSA-N
XLogP0.87
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(3-aminopropyl)-3-ethyl-1,8-dimethylpurine-2,6-dione
CID 82465806
1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione
CID 82466246
1-(4-aminobutyl)-3-ethyl-7-methylpurine-2,6-dione
CID 82466206
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
1-(2-aminoethyl)-7-methyl-3-(2-methylpropyl)-8-propan-2-ylpurine-2,6-dione
CID 82466417
1-(2-aminoethyl)-7-ethyl-3-(3-methoxypropyl)-8-methylpurine-2,6-dione
CID 82466657
1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione
CID 82466407
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione
CID 15667115
1-(3-aminopropyl)-7-ethyl-8-(methoxymethyl)-3-methylpurine-2,6-dione
CID 82466508
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
CID 82464444
1-(2-aminoethyl)-3-butan-2-yl-7-methyl-8-propan-2-ylpurine-2,6-dione
CID 82466394

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione?
The IUPAC name of 1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione (CID 82466554) is 1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione.
What is the SMILES notation for 1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione?
The canonical SMILES for 1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione is CCn1c(C(C)C)nc2c1c(=O)n(CCCN)c(=O)n2CC.
What is the InChIKey of 1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione?
The InChIKey is MPEQKUYBQWTIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-5-18-11-13(17-12(18)10(3)4)19(6-2)15(22)20(14(11)21)9-7-8-16/h10H,5-9,16H2,1-4H3.
What are the key properties of 1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione?
1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione has a molecular weight of 307.40 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione is sourced from PubChem (CID 82466554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).