2-(cyclohexylamino)-1,7-dihydropurin-6-one

C11H15N5O — CID 136994297

IUPAC2-(cyclohexylamino)-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(NC2CCCCC2)nc2nc[nH]c12
InChIInChI=1S/C11H15N5O/c17-10-8-9(13-6-12-8)15-11(16-10)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,13,14,15,16,17)
InChIKeyGYKXPJBZZJEMDI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.39
Rot. Bonds2

About 2-(cyclohexylamino)-1,7-dihydropurin-6-one

2-(cyclohexylamino)-1,7-dihydropurin-6-one (PubChem CID 136994297) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-1,7-dihydropurin-6-one
PubChem CID136994297
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-(cyclohexylamino)-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(NC2CCCCC2)nc2nc[nH]c12
InChIInChI=1S/C11H15N5O/c17-10-8-9(13-6-12-8)15-11(16-10)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,13,14,15,16,17)
InChIKeyGYKXPJBZZJEMDI-UHFFFAOYSA-N
XLogP1.39
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Guanine
CID 135398634
Hypoxanthine
CID 135398638
5-Aminoimidazole-4-carboxamide
CID 9679
6H-Purin-6-one, 2-amino-1,9-dihydro-, hydrochloride (1:1)
CID 135436483
1-Methylguanine
CID 70315
CID 790
CID 790
N-(6,7-dihydro-6-oxo-1H-purin-2-yl)acetamide
CID 135432176
2-Bromohypoxanthine
CID 135413991
5-Aminoimidazole-4-carboxamide hydrochloride
CID 66146
6-Hydroxy-2-methylaminopurine
CID 135426867
3-Methylguanine
CID 76292
3-Butyl-3,9-dihydro-1-methyl-1H-purine-2,6-dione
CID 169316

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1,7-dihydropurin-6-one?
The IUPAC name of 2-(cyclohexylamino)-1,7-dihydropurin-6-one (CID 136994297) is 2-(cyclohexylamino)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-(cyclohexylamino)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-(cyclohexylamino)-1,7-dihydropurin-6-one is O=c1[nH]c(NC2CCCCC2)nc2nc[nH]c12.
What is the InChIKey of 2-(cyclohexylamino)-1,7-dihydropurin-6-one?
The InChIKey is GYKXPJBZZJEMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c17-10-8-9(13-6-12-8)15-11(16-10)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,13,14,15,16,17).
What are the key properties of 2-(cyclohexylamino)-1,7-dihydropurin-6-one?
2-(cyclohexylamino)-1,7-dihydropurin-6-one has a molecular weight of 233.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1,7-dihydropurin-6-one is sourced from PubChem (CID 136994297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).