8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione

C14H23N5O2 — CID 78205157

IUPAC8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCN1C(NC2CCCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C14H23N5O2/c1-3-19-10-11(18(2)14(21)17-12(10)20)16-13(19)15-9-7-5-4-6-8-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,20,21)
InChIKeyMNOFXYGJDYLRGD-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.48
Rot. Bonds2

About 8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione

8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione (PubChem CID 78205157) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
PubChem CID78205157
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCN1C(NC2CCCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C14H23N5O2/c1-3-19-10-11(18(2)14(21)17-12(10)20)16-13(19)15-9-7-5-4-6-8-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,20,21)
InChIKeyMNOFXYGJDYLRGD-UHFFFAOYSA-N
XLogP0.48
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cyclohexylamino)-3-methyl-7-phenacyl-4,5-dihydropurine-2,6-dione
CID 73281636
8-(cyclohexylamino)-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methyl-4,5-dihydropurine-2,6-dione
CID 73327828
3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78303083
2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide
CID 78266829
7-dodecyl-3-methyl-8-(4-methylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 45053494
8-butylsulfanyl-7-decyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 78303715
7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione
CID 78303122
3-methyl-7-(3-methylbutyl)-8-(3-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 78210709
8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78379500
8-ethylsulfanyl-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78302970
8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78303009
3-methyl-7-pentyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 78302977

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione (CID 78205157) is 8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione is CCN1C(NC2CCCCC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
The InChIKey is MNOFXYGJDYLRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-19-10-11(18(2)14(21)17-12(10)20)16-13(19)15-9-7-5-4-6-8-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,20,21).
What are the key properties of 8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78205157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).