8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione

C15H23N5O2 — CID 82465205

IUPAC8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione
SMILESCCn1c(=O)c2[nH]c(CCN)nc2n(C2CCCCC2)c1=O
InChIInChI=1S/C15H23N5O2/c1-2-19-14(21)12-13(18-11(17-12)8-9-16)20(15(19)22)10-6-4-3-5-7-10/h10H,2-9,16H2,1H3,(H,17,18)
InChIKeyDBJPEOPZAWJQBQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.91
Rot. Bonds4

About 8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione

8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione (PubChem CID 82465205) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione
PubChem CID82465205
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione
SMILESCCn1c(=O)c2[nH]c(CCN)nc2n(C2CCCCC2)c1=O
InChIInChI=1S/C15H23N5O2/c1-2-19-14(21)12-13(18-11(17-12)8-9-16)20(15(19)22)10-6-4-3-5-7-10/h10H,2-9,16H2,1H3,(H,17,18)
InChIKeyDBJPEOPZAWJQBQ-UHFFFAOYSA-N
XLogP0.91
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-1-ethyl-7H-purine-2,6-dione
CID 22506520
8-chloro-1,3-dicyclohexyl-7H-purine-2,6-dione
CID 158695416
8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione
CID 82465215
3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione
CID 82465201
8-(2-cyclohexylethyl)-3-ethyl-7H-purine-2,6-dione
CID 115925626
8-(bromomethyl)-1-ethyl-3-methyl-7H-purine-2,6-dione
CID 82465244
3-cyclohexyl-8-(methylaminomethyl)-7H-purine-2,6-dione
CID 82465179
8-but-3-ynyl-1,3-bis(cyclohexylmethyl)-7H-purine-2,6-dione
CID 102297585
1,3-dicyclopropyl-8-methyl-7H-purine-2,6-dione
CID 54291692
3-(4-aminobutyl)-8-cyclopentyl-1-propyl-7H-purine-2,6-dione
CID 19699230
1-cyclononyl-3,5-di(cyclooctyl)-1,3,5-triazinane-2,4,6-trione
CID 148955013
3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione
CID 82464295

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione?
The IUPAC name of 8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione (CID 82465205) is 8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione is CCn1c(=O)c2[nH]c(CCN)nc2n(C2CCCCC2)c1=O.
What is the InChIKey of 8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione?
The InChIKey is DBJPEOPZAWJQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-2-19-14(21)12-13(18-11(17-12)8-9-16)20(15(19)22)10-6-4-3-5-7-10/h10H,2-9,16H2,1H3,(H,17,18).
What are the key properties of 8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione?
8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione is sourced from PubChem (CID 82465205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).