3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione

C15H23N5O2 — CID 82465217

IUPAC3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
SMILESCCNc1nc2c(c(=O)n(C)c(=O)n2C2CCCCC2)n1C
InChIInChI=1S/C15H23N5O2/c1-4-16-14-17-12-11(18(14)2)13(21)19(3)15(22)20(12)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyNFRQZQGICRPYSN-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.37
Rot. Bonds3

About 3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione

3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione (PubChem CID 82465217) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
PubChem CID82465217
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
SMILESCCNc1nc2c(c(=O)n(C)c(=O)n2C2CCCCC2)n1C
InChIInChI=1S/C15H23N5O2/c1-4-16-14-17-12-11(18(14)2)13(21)19(3)15(22)20(12)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyNFRQZQGICRPYSN-UHFFFAOYSA-N
XLogP1.37
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione
CID 82465215
3-butan-2-yl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82464855
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
CID 154715805
1-ethyl-8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464565
7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione
CID 82465577
3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione
CID 82465201
8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308040
7-ethyl-8-(ethylamino)-1-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464522
3-(3-aminopropylamino)-8-cyclopentyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308962
8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione
CID 702626
8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione
CID 82463842
3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione
CID 82464295

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione?
The IUPAC name of 3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione (CID 82465217) is 3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione?
The canonical SMILES for 3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione is CCNc1nc2c(c(=O)n(C)c(=O)n2C2CCCCC2)n1C.
What is the InChIKey of 3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione?
The InChIKey is NFRQZQGICRPYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-16-14-17-12-11(18(14)2)13(21)19(3)15(22)20(12)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione?
3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 82465217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).