6-(hexylamino)-3,7-dihydropurin-2-one

C11H17N5O — CID 86270867

IUPAC6-(hexylamino)-3,7-dihydropurin-2-one
SMILESCCCCCCNc1nc(=O)[nH]c2nc[nH]c12
InChIInChI=1S/C11H17N5O/c1-2-3-4-5-6-12-9-8-10(14-7-13-8)16-11(17)15-9/h7H,2-6H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyXSHIHOUVADDYNX-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.64
Rot. Bonds6

About 6-(hexylamino)-3,7-dihydropurin-2-one

6-(hexylamino)-3,7-dihydropurin-2-one (PubChem CID 86270867) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-(hexylamino)-3,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-(hexylamino)-3,7-dihydropurin-2-one
PubChem CID86270867
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name6-(hexylamino)-3,7-dihydropurin-2-one
SMILESCCCCCCNc1nc(=O)[nH]c2nc[nH]c12
InChIInChI=1S/C11H17N5O/c1-2-3-4-5-6-12-9-8-10(14-7-13-8)16-11(17)15-9/h7H,2-6H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyXSHIHOUVADDYNX-UHFFFAOYSA-N
XLogP1.64
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(propylamino)-3,7-dihydropurin-2-one
CID 86270675
6-(ethylamino)-3,7-dihydropurin-2-one
CID 86270676
6-(dibutylamino)-3,7-dihydropurin-2-one
CID 3631920
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
4,6-bis(octadecylamino)-1,7-dihydropyrimido[5,4-d]pyrimidine-2,8-dione
CID 139822898
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
3,7-dihydropurine-2,6-dione;hexadecanoic acid
CID 157300162
N-butyl-7H-purin-6-amine;ethane
CID 154667457
1-methyl-3-(octylamino)pyrazin-2-one
CID 113337455
6-[(2E)-2-octylidenehydrazinyl]-1,7-dihydropurin-2-one
CID 156562890
ethyl 4-(pentylamino)-1H-imidazole-5-carboxylate
CID 68604330

Frequently Asked Questions

What is the IUPAC name of 6-(hexylamino)-3,7-dihydropurin-2-one?
The IUPAC name of 6-(hexylamino)-3,7-dihydropurin-2-one (CID 86270867) is 6-(hexylamino)-3,7-dihydropurin-2-one.
What is the SMILES notation for 6-(hexylamino)-3,7-dihydropurin-2-one?
The canonical SMILES for 6-(hexylamino)-3,7-dihydropurin-2-one is CCCCCCNc1nc(=O)[nH]c2nc[nH]c12.
What is the InChIKey of 6-(hexylamino)-3,7-dihydropurin-2-one?
The InChIKey is XSHIHOUVADDYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-3-4-5-6-12-9-8-10(14-7-13-8)16-11(17)15-9/h7H,2-6H2,1H3,(H3,12,13,14,15,16,17).
What are the key properties of 6-(hexylamino)-3,7-dihydropurin-2-one?
6-(hexylamino)-3,7-dihydropurin-2-one has a molecular weight of 235.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexylamino)-3,7-dihydropurin-2-one is sourced from PubChem (CID 86270867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).