3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione

C14H21N5O2 — CID 82464295

IUPAC3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione
SMILESCCn1c(NC)nc2c1c(=O)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C14H21N5O2/c1-3-18-10-11(16-13(18)15-2)19(14(21)17-12(10)20)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,15,16)(H,17,20,21)
InChIKeyRZVABZBJRRERIH-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.45
Rot. Bonds3

About 3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione

3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione (PubChem CID 82464295) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione.

Molecular Properties

Compound Name3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione
PubChem CID82464295
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione
SMILESCCn1c(NC)nc2c1c(=O)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C14H21N5O2/c1-3-18-10-11(16-13(18)15-2)19(14(21)17-12(10)20)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,15,16)(H,17,20,21)
InChIKeyRZVABZBJRRERIH-UHFFFAOYSA-N
XLogP1.45
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione
CID 82464302
3-ethyl-7-methyl-8-(methylamino)purine-2,6-dione
CID 82463994
3-cyclohexyl-8-(methylaminomethyl)-7H-purine-2,6-dione
CID 82465179
8-chloro-3-cyclohexyl-7H-purine-2,6-dione
CID 70146367
8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione
CID 129249128
N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide
CID 27370815
7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
CID 652075
1,3,7-triethyl-8-(methylamino)purine-2,6-dione
CID 82464428
7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione
CID 82464367
3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82465217
N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
CID 657449
7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione
CID 40692634

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione?
The IUPAC name of 3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione (CID 82464295) is 3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione.
What is the SMILES notation for 3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione?
The canonical SMILES for 3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione is CCn1c(NC)nc2c1c(=O)[nH]c(=O)n2C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione?
The InChIKey is RZVABZBJRRERIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-18-10-11(16-13(18)15-2)19(14(21)17-12(10)20)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,15,16)(H,17,20,21).
What are the key properties of 3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione?
3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione has a molecular weight of 291.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione is sourced from PubChem (CID 82464295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).